Geometry & MOs

Info

ID:	270411
PubChem CID:	103636471
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	347.03823
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	1.98
IP(EA), eV:	-9.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-(4-methoxybutan-2-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC(CCOC)NC(=O)C1=NNC(=O)C=C1

DOS

IR

Vibrations