Geometry & MOs

Info

ID:	49554
PubChem CID:	11533233
Reduced:	FO3N8H21C24 (1)
Stoich.:	AB3C8D21E24 (1)
Weight, g/mol:	487.215718
ΔH_f, kcal/mol:	0.22
Dipole, Da:	6.16
IP(EA), eV:	-9.51(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-phenylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2=CC(=NC=N2)C(=O)N[C@H]3CCC4=C3C=CC(=C4)N5C(=O)N=NN5)F

DOS

IR

Vibrations