Geometry & MOs

Info

ID:	55514
PubChem CID:	17395490
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	6.09
IP(EA), eV:	-9.01(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-3,5-dimethyl-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1)C(=O)NCC2CCCO2)[N+](=O)[O-]

DOS

IR

Vibrations