Geometry & MOs

Info

ID:	387032
PubChem CID:	134983744
Reduced:	N2O3C4H4 (2)
Stoich.:	A2B3C4D4 (2)
Weight, g/mol:	358.10446
ΔH_f, kcal/mol:	14.78
Dipole, Da:	7.32
IP(EA), eV:	-11.03(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-N-(3-bromophenyl)-2-N-methyl-2-N-phenylcyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])N(C)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations