Geometry & MOs

Info

ID:	123365
PubChem CID:	50844153
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	2.72
IP(EA), eV:	-8.29(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

CCN1C2=C(CN(CC2)C(=O)C3CCC3)C4=CC=CC=C41

DOS

IR

Vibrations