Geometry & MOs

Info

ID:	233609
PubChem CID:	91145953
Reduced:	N5O6C37H39 (1)
Stoich.:	A5B6C37D39 (1)
Weight, g/mol:	403.071754
ΔH_f, kcal/mol:	-131.08
Dipole, Da:	5.1
IP(EA), eV:	-8.45(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dichlorophenyl)butyl]-N-methyl-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC2=C1C=CC(=C2O)C(=O)NCCCOC3=C(C=C(C=C3)C)C.C1=CC=C(C=C1)OC(=O)C2=CC3=NNN=C3C=C2

DOS

IR

Vibrations