Geometry & MOs

Info

ID:	183977
PubChem CID:	77098721
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	281.196408
ΔH_f, kcal/mol:	33.1
Dipole, Da:	2.25
IP(EA), eV:	-9.2(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-2-[4-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanimidamide

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)COC2=CC=CC(=C2)C(=NO)N

DOS

IR

Vibrations