Geometry & MOs

Info

ID:	268083
PubChem CID:	103597748
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	-111.97
Dipole, Da:	2.23
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxyphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C=CC1=CC=CC=C1OC

DOS

IR

Vibrations