Geometry & MOs

Info

ID:	89355
PubChem CID:	49960645
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	273.086189
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	5.51
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)N

DOS

IR

Vibrations