Geometry & MOs

Info

ID:	403461
PubChem CID:	135060405
Reduced:	FNS2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	307.087625
ΔH_f, kcal/mol:	-8.16
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.801204
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine

Drug info:

PubChemData

Smile

C1CC[N+](=C2SC(S2)C3=CC=C(C=C3)F)CC1

DOS

IR

Vibrations