Geometry & MOs

Info

ID:	322257
PubChem CID:	126669547
Reduced:	ClNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	443.145676
ΔH_f, kcal/mol:	14.82
Dipole, Da:	2.13
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide

Drug info:

PubChemData

Smile

C=CC1=C(OC[C@@H](NC1)CC2=CC=C(C=C2)Cl)C=C

DOS

IR

Vibrations