Geometry & MOs

Info

ID:	282152
PubChem CID:	103917360
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	293.181336
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	1.55
IP(EA), eV:	-8.14(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CCOC1CC(C1)NCC2=CC(=C(C=C2)OCC)OC

DOS

IR

Vibrations