Geometry & MOs

Info

ID:	197702
PubChem CID:	78988564
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	4.87
IP(EA), eV:	-9.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NCC=C

DOS

IR

Vibrations