Geometry & MOs

Info

ID:	69216
PubChem CID:	46530466
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	14.08
Dipole, Da:	2.3
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)NC(C3=CC=C(C=C3)OC)C4=NC=CN4C

DOS

IR

Vibrations