Geometry & MOs

Info

ID:	156605
PubChem CID:	56371318
Reduced:	Cl2N4O4H22C23 (1)
Stoich.:	A2B4C4D22E23 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	3.16
IP(EA), eV:	-8.13(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)N2CCC(CC2)C(=O)N)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

DOS

IR

Vibrations