Geometry & MOs

Info

ID:	329108
PubChem CID:	126731272
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-71.1
Dipole, Da:	7.92
IP(EA), eV:	-8.45(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-hydroxy-5-[1-(1,2,4-triazol-1-yl)ethyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=C(N(C=C(C1=O)C(C)N2CCOCC2)C)C

DOS

IR

Vibrations