Geometry & MOs

Info

ID:	262089
PubChem CID:	103269499
Reduced:	BrN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	332.03717
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	6.93
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2,3-dimethoxypropyl)-5-methyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])Br)NC(C)C2=C(ON=C2C)C

DOS

IR

Vibrations