Geometry & MOs

Info

ID:	179730
PubChem CID:	76522319
Reduced:	ClN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	6.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779421
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[(2-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CCN(C1=O)CC2=CC=CC=C2Cl)C(=O)[O-]

DOS

IR

Vibrations