Geometry & MOs

Info

ID:	242968
PubChem CID:	99214601
Reduced:	O2N5C28H37 (1)
Stoich.:	A2B5C28D37 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	5.64
IP(EA), eV:	-8.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)N4CCN(CC4)CC5CC5

DOS

IR

Vibrations