Geometry & MOs

Info

ID:	280715
PubChem CID:	103850873
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	361.05249
ΔH_f, kcal/mol:	-137.05
Dipole, Da:	4.33
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations