Geometry & MOs

Info

ID:	272217
PubChem CID:	103735939
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	389.99959
ΔH_f, kcal/mol:	54.36
Dipole, Da:	1.9
IP(EA), eV:	-8.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-cyanoethyl)-4-iodo-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CC1(CCC1)CNCC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations