Geometry & MOs

Info

ID:	322909
PubChem CID:	126671563
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	128.131349
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	2.16
IP(EA), eV:	-9.19(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S)-2-methylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CC[C@@H]1N)OC

DOS

IR

Vibrations