Geometry & MOs

Info

ID:	317314
PubChem CID:	126635565
Reduced:	BrClOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	474.103247
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	2.33
IP(EA), eV:	-9.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-3-(piperidin-1-ylmethyl)-N-(3,4,5-trichlorophenyl)cyclohexa-1,5-diene-1-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)CBr

DOS

IR

Vibrations