Geometry & MOs

Info

ID:

436330

PubChem CID:

135199068

Reduced:

FOC12H17 (1)

Stoich.:

ABC12D17 (1)

Weight, g/mol:

759.455249

ΔHf, kcal/mol:

-103.98

Dipole, Da:

2.44

IP(EA), eV:

-9.44(-0.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[[6-[(2S,8R)-6-[(1Z,5Z,7Z)-3-amino-4-methylidenenona-1,5,7-trienyl]-10-azatricyclo[7.4.1.02,8]tetradeca-4,6,10,12-tetraen-11-yl]naphthalen-2-yl]methyl]-10-[(4Z)-2-methylhexa-2,4-dien-3-yl]-9,10-dihydrophenanthren-9-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C=C(C=C1)F)C)[C@@H](C)O

DOS

IR

Vibrations