Geometry & MOs

Info

ID:	282007
PubChem CID:	103914657
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-36.6
Dipole, Da:	4.96
IP(EA), eV:	-9.03(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(3-methyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CCC(C1=NC=CN1C)NC[C@H](C)O

DOS

IR

Vibrations