Geometry & MOs

Info

ID:	434396
PubChem CID:	135174836
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	431.077902
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	2.57
IP(EA), eV:	-8.88(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(azetidin-3-ylmethylamino)methyl]-2-chlorophenyl]-4-chloro-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=C1)OCCCCN

DOS

IR

Vibrations