Geometry & MOs

Info

ID:	274118
PubChem CID:	103807161
Reduced:	ClION2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	346.05421
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	3.96
IP(EA), eV:	-9.41(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-3-methylbutyl)-2-iodo-3-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)C1=C(C=CC(=C1)Cl)I)N

DOS

IR

Vibrations