Geometry & MOs

Info

ID:	434004
PubChem CID:	135174154
Reduced:	F3N3C22H22 (1)
Stoich.:	A3B3C22D22 (1)
Weight, g/mol:	397.051545
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	5.91
IP(EA), eV:	-9.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(azetidin-3-ylmethylamino)methyl]-2-chlorophenyl]-2,4-dichlorobenzamide

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=CC=C2)/C=C/C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations