Geometry & MOs

Info

ID:	188538
PubChem CID:	77730197
Reduced:	Cl2N2O6C25H28 (1)
Stoich.:	A2B2C6D25E28 (1)
Weight, g/mol:	415.215718
ΔH_f, kcal/mol:	-241.96
Dipole, Da:	5.8
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpiperidin-2-yl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone;dihydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)NC1=CC(=C(C(=C1)Cl)OC2=CC(=C(C=C2)O)C(=O)NC(C)C3CCCCC3)Cl

DOS

IR

Vibrations