Geometry & MOs

Info

ID:	265620
PubChem CID:	103533730
Reduced:	FOSN2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	3.55
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbothioamide

Drug info:

PubChemData

Smile

COC1CCN(C1)CC2=C(C=C(C=C2)F)C(=S)N

DOS

IR

Vibrations