Geometry & MOs

Info

ID:	269125
PubChem CID:	103614911
Reduced:	IO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	373.09026
ΔH_f, kcal/mol:	-16.96
Dipole, Da:	2.31
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-methyl-N-(6-methylheptan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations