Geometry & MOs

Info

ID:	64555
PubChem CID:	29202855
Reduced:	ClO2N4C25H29 (1)
Stoich.:	AB2C4D25E29 (1)
Weight, g/mol:	462.224261
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	5.34
IP(EA), eV:	-8.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)C)Cl

DOS

IR

Vibrations