Geometry & MOs

Info

ID:	284301
PubChem CID:	104041206
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-118.12
Dipole, Da:	4.57
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2,3-dimethoxypropyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C(=O)NCC(COC)OC

DOS

IR

Vibrations