Geometry & MOs

Info

ID:	48108
PubChem CID:	10537200
Reduced:	ON2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	2.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756432
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-methoxyphenyl)sulfanyl-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC(N(C1(C)C)[O])(C)C

DOS

IR

Vibrations