Geometry & MOs

Info

ID:	55812
PubChem CID:	17396603
Reduced:	NO3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-167.13
Dipole, Da:	9.28
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations