Geometry & MOs

Info

ID:	272221
PubChem CID:	103736011
Reduced:	ClIOSN2H12C13 (1)
Stoich.:	ABCDE2F12G13 (1)
Weight, g/mol:	399.98394
ΔH_f, kcal/mol:	21.87
Dipole, Da:	4.05
IP(EA), eV:	-9.51(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations