Geometry & MOs

Info

ID:	235367
PubChem CID:	92309654
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	7.71
IP(EA), eV:	-9.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2CC3=C(C2=O)C(=CC=C3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations