Geometry & MOs

Info

ID:	297302
PubChem CID:	117614715
Reduced:	NF11H16C29 (1)
Stoich.:	AB11C16D29 (1)
Weight, g/mol:	468.231397
ΔH_f, kcal/mol:	-447.42
Dipole, Da:	0.67
IP(EA), eV:	-8.25(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylhexan-2-yl)-2-(8-phenylpyrido[4,3-b]indol-5-yl)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=C(C=C(C=C4C(F)(F)F)C5=C(C(=C(C(=C5F)F)F)F)F)C(F)(F)F)C

DOS

IR

Vibrations