Geometry & MOs

Info

ID:	201282
PubChem CID:	79518255
Reduced:	NOSC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	0.97
IP(EA), eV:	-8.09(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)(C)CCSC1=C(C=CC(=C1)OC)N

DOS

IR

Vibrations