Geometry & MOs

Info

ID:	198478
PubChem CID:	79107253
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	8.3
IP(EA), eV:	-9.26(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-acetylpyrrol-1-yl)-N-methylbutanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=C1)CCCS(=O)(=O)C

DOS

IR

Vibrations