Geometry & MOs

Info

ID:	282651
PubChem CID:	103934497
Reduced:	ON2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	2.03
IP(EA), eV:	-8.73(2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCC1COCCN1C[C@H](C)N

DOS

IR

Vibrations