Geometry & MOs

Info

ID:	310300
PubChem CID:	126578262
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	508.156345
ΔH_f, kcal/mol:	-88.46
Dipole, Da:	5.83
IP(EA), eV:	-8.53(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-[4-[4-chloro-3-[1-(2,4-dichlorophenyl)ethylamino]phenyl]piperazin-1-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C3CCN(C3)C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations