Geometry & MOs

Info

ID:	122367
PubChem CID:	50803913
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	496.304956
ΔH_f, kcal/mol:	-54.04
Dipole, Da:	3.97
IP(EA), eV:	-8.28(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[4-[2-[benzyl(methyl)amino]ethylcarbamoyl]piperidin-1-yl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)C(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations