Geometry & MOs

Info

ID:	374558
PubChem CID:	131331503
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	-173.35
Dipole, Da:	4.54
IP(EA), eV:	-9.82(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-1,5,6,7-tetrahydroindol-6-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C1(COC1)C(=O)OC)O

DOS

IR

Vibrations