Geometry & MOs

Info

ID:	369128
PubChem CID:	127331360
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	6.83
IP(EA), eV:	-8.55(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-1-ethylcinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations