Geometry & MOs

Info

ID:	28983
PubChem CID:	830989
Reduced:	O2N4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	26.2
Dipole, Da:	6.91
IP(EA), eV:	-10.3(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-benzyl-2-sulfanylideneimidazol-1-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)N2C=NN=N2

DOS

IR

Vibrations