Geometry & MOs

Info

ID:	245230
PubChem CID:	99437972
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	494.25292
ΔH_f, kcal/mol:	-43.53
Dipole, Da:	4.97
IP(EA), eV:	-8.67(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-1-[(3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)C=C(C3CC3)C4CC4

DOS

IR

Vibrations