Geometry & MOs

Info

ID:	183349
PubChem CID:	77011405
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	268.164774
ΔH_f, kcal/mol:	-146.89
Dipole, Da:	7.96
IP(EA), eV:	-9.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCOC1=C(C=C(C=C1)C)C=CC(=O)O

DOS

IR

Vibrations