Geometry & MOs

Info

ID:	265617
PubChem CID:	103533522
Reduced:	NOC5H9 (2)
Stoich.:	ABC5D9 (2)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	2.06
IP(EA), eV:	-9.3(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxypyrrolidin-1-yl)-2-methylbenzenecarbothioamide

Drug info:

PubChemData

Smile

CCC(C#N)N1CC(C(C1)OC)OC

DOS

IR

Vibrations