Geometry & MOs

Info

ID:	355862
PubChem CID:	127290714
Reduced:	O3N4C17H30 (1)
Stoich.:	A3B4C17D30 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-141.93
Dipole, Da:	2.53
IP(EA), eV:	-8.82(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydroisoindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=C)CN1CCC(CC1)NC(=O)NCCC(=O)N2CCOCC2

DOS

IR

Vibrations