Geometry & MOs

Info

ID:	204708
PubChem CID:	79999129
Reduced:	ON2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	288.231397
ΔH_f, kcal/mol:	-109.58
Dipole, Da:	3.85
IP(EA), eV:	-9.34(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC12CC3CC(C1)(CC(C3)(C2)C)C)N

DOS

IR

Vibrations