Geometry & MOs

Info

ID:	198508
PubChem CID:	79112417
Reduced:	INO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	341.07389
ΔH_f, kcal/mol:	-49.72
Dipole, Da:	1.83
IP(EA), eV:	-9.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-bromo-2-nitrophenyl)-4-N-ethylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CN(C1CCC(=O)CC1)C(=O)C2=CC(=CC=C2)I

DOS

IR

Vibrations