Geometry & MOs

Info

ID:	362403
PubChem CID:	127307748
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	15.89
Dipole, Da:	5.39
IP(EA), eV:	-8.95(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations