Geometry & MOs

Info

ID:

436322

PubChem CID:

135198951

Reduced:

NC10H15 (1)

Stoich.:

AB10C15 (1)

Weight, g/mol:

781.403213

ΔHf, kcal/mol:

39.4

Dipole, Da:

2.15

IP(EA), eV:

-8.74(0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[1-(5-methyl-2-phenyl-1,2-dihydropyridin-6-yl)ethenyl]-1-[6-[4-(3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),7,11,16(21),17-hexaen-14-yl)phenyl]-3,4,4b,8a-tetrahydrophenanthren-2-yl]prop-2-en-1-imine

Drug info:

PubChemData

Smile

CC=N/C(=C(/C=C)\C(=C)C)/C

DOS

IR

Vibrations