Geometry & MOs

Info

ID:	203023
PubChem CID:	79762471
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	2.85
IP(EA), eV:	-10.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=N1)C2CCOC2C

DOS

IR

Vibrations