Geometry & MOs

Info

ID:	204702
PubChem CID:	79999123
Reduced:	NC17H31 (1)
Stoich.:	AB17C31 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	1.47
IP(EA), eV:	-8.64(3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,5-dimethyl-1-adamantyl)pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CCC(C)CNC12CC3CC(C1)(CC(C3)(C2)C)C

DOS

IR

Vibrations