Geometry & MOs

Info

ID:	399517
PubChem CID:	135040674
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	247.087625
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	9.79
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[3-(methylamino)propyl]-1H-indole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN2C3=C(C=C(C=C3)OC)C(=O)N=C2C=C1

DOS

IR

Vibrations