Geometry & MOs

Info

ID:	281356
PubChem CID:	103913751
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	195.108171
ΔH_f, kcal/mol:	-32.57
Dipole, Da:	4.58
IP(EA), eV:	-9.24(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-methylsulfanylethyl)-1-phenylethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCC2CCC(=O)N2

DOS

IR

Vibrations