Geometry & MOs

Info

ID:	364728
PubChem CID:	127316034
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	52.72
Dipole, Da:	0.61
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCN(CC3)CC4=NC=CN4)C

DOS

IR

Vibrations