Geometry & MOs

Info

ID:	141671
PubChem CID:	52911899
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-59.56
Dipole, Da:	0.45
IP(EA), eV:	-8.93(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,4aS,8aR)-4-(benzylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N[C@H]2CCC[C@@H]3[C@]2(CCCC3)O

DOS

IR

Vibrations