Geometry & MOs

Info

ID:	58530
PubChem CID:	24702255
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	49.66
Dipole, Da:	2.95
IP(EA), eV:	-8.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-carbamothioylpyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)CC3=CC(=CC=C3)/C(=N/O)/N

DOS

IR

Vibrations