Geometry & MOs

Info

ID:	342984
PubChem CID:	127266147
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	1.33
IP(EA), eV:	-9.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-3-methyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)C2=CC=CC=C2C3=CNN=C3

DOS

IR

Vibrations