Geometry & MOs

Info

ID:	205290
PubChem CID:	80081142
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	3.98
IP(EA), eV:	-8.0(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-dimethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)NCCNC(=O)C

DOS

IR

Vibrations