Geometry & MOs

Info

ID:	431772
PubChem CID:	135171878
Reduced:	NO2C10H13 (3)
Stoich.:	AB2C10D13 (3)
Weight, g/mol:	354.13068
ΔH_f, kcal/mol:	-154.81
Dipole, Da:	4.5
IP(EA), eV:	-8.9(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-N-(4-methoxycyclohexyl)-1-N-(2-methylpropyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N(CC(C)C)C3CC4(C3)CN(C4)C(=O)OC(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations