Geometry & MOs

Info

ID:	47923
PubChem CID:	10535857
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	3.96
IP(EA), eV:	-9.23(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-3-(1-aminoethyl)adamantan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCC(=O)N1CC=CC1

DOS

IR

Vibrations