Geometry & MOs

Info

ID:	303058
PubChem CID:	124489159
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	1.25
IP(EA), eV:	-7.95(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C2=CC=C(C=C2)[C@H](C)O

DOS

IR

Vibrations