Geometry & MOs

Info

ID:	85181
PubChem CID:	49872232
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	2.95
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-oxo-2-[4-(piperidin-4-ylmethyl)phenyl]-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H]1CCNC1)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations