Geometry & MOs

Info

ID:	271558
PubChem CID:	103684075
Reduced:	N2O2C5H9 (2)
Stoich.:	A2B2C5D9 (2)
Weight, g/mol:	318.02152
ΔH_f, kcal/mol:	-71.17
Dipole, Da:	6.95
IP(EA), eV:	-9.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-nitroanilino)-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[N+](=O)[O-])NC(CCO)COC)C

DOS

IR

Vibrations