Geometry & MOs

Info

ID:	379231
PubChem CID:	134356860
Reduced:	NC11H25 (1)
Stoich.:	AB11C25 (1)
Weight, g/mol:	445.19026
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	1.49
IP(EA), eV:	-8.45(2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(8-methylidene-6-quinolin-4-ylquinolizin-2-yl)pyridin-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC(C)C(C)CC(C)N(C)C

DOS

IR

Vibrations