Geometry & MOs

Info

ID:	235366
PubChem CID:	92309652
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	384.12407
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	7.56
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC3=C2C(=O)N(C3)C[C@H]4CCCO4

DOS

IR

Vibrations