Geometry & MOs

Info

ID:	26630
PubChem CID:	794153
Reduced:	PO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	3.37
IP(EA), eV:	-9.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations