Geometry & MOs

Info

ID:	85182
PubChem CID:	49872235
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	6.19
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]-3-oxo-1H-isoindole-4-carboxamide

Drug info:

PubChemData

Smile

CC1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3=CC=C(C=C3)CC4CCNCC4

DOS

IR

Vibrations