Geometry & MOs

Info

ID:	58440
PubChem CID:	24701458
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	2.75
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-carbamothioylphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC/C(=N/O)/N

DOS

IR

Vibrations