Geometry & MOs

Info

ID:	281362
PubChem CID:	103913762
Reduced:	NSC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	9.21
Dipole, Da:	1.32
IP(EA), eV:	-8.58(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CCSCCN[C@@H](C)C1=CC=CC=C1

DOS

IR

Vibrations