Geometry & MOs

Info

ID:	182759
PubChem CID:	76935820
Reduced:	ClN3O4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	240.133474
ΔH_f, kcal/mol:	5.07
Dipole, Da:	7.03
IP(EA), eV:	-9.43(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=NO)N)OC2=CC(=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations