Geometry & MOs

Info

ID:

328619

PubChem CID:

126726028

Reduced:

O2F3N5H22C24 (1)

Stoich.:

A2B3C5D22E24 (1)

Weight, g/mol:

915.668202

ΔHf, kcal/mol:

-85.92

Dipole, Da:

10.84

IP(EA), eV:

-9.27(-1.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(1,9-dihydropyren-1-ylmethyl)-2-[4-[6,6-dimethyl-8-(4-methylphenyl)decan-4-yl]phenyl]-N-[[4-[5,5-dimethyl-7-(4-methylphenyl)octan-3-yl]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CN=C(C=C2)C([C@@](CN3C=NN=N3)(C4=C(C=C(C=C4)C)F)O)(F)F

DOS

IR

Vibrations