Geometry & MOs

Info

ID:	151509
PubChem CID:	53837742
Reduced:	NO3C10H18 (1)
Stoich.:	AB3C10D18 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-121.34
Dipole, Da:	6.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761015
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(4-oxopentanethioyl)-2H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C(=O)CC(=O)[N+](C)(C)C

DOS

IR

Vibrations