Geometry & MOs

Info

ID:	414336
PubChem CID:	135087292
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	406.140783
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	3.98
IP(EA), eV:	-8.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations