Geometry & MOs

Info

ID:	373381
PubChem CID:	131314428
Reduced:	NSO2C8H15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	-102.69
Dipole, Da:	1.53
IP(EA), eV:	-8.72(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-ethyl-4,5,6,7-tetrahydro-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1(CSCCN1)C

DOS

IR

Vibrations