Geometry & MOs

Info

ID:	362407
PubChem CID:	127307752
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	29.58
Dipole, Da:	3.7
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CC3=CN=CC=C3

DOS

IR

Vibrations