Geometry & MOs

Info

ID:	374733
PubChem CID:	131342566
Reduced:	N3H11C13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	235.05124
ΔH_f, kcal/mol:	97.03
Dipole, Da:	5.16
IP(EA), eV:	-9.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-chloro-5-[(2R)-5-oxopyrrolidin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C=C[C@H](C1=NC2=C(C=CC(=C2)C#N)C=C1)N

DOS

IR

Vibrations