Geometry & MOs

Info

ID:	244062
PubChem CID:	99309546
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	2.85
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC)C

DOS

IR

Vibrations