Geometry & MOs

Info

ID:	265597
PubChem CID:	103532569
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	4.03
IP(EA), eV:	-8.53(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C)C(C)N1CC(C(C1)OC)OC

DOS

IR

Vibrations