Geometry & MOs

Info

ID:	355576
PubChem CID:	127289334
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	9.8
Dipole, Da:	4.3
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations