Geometry & MOs

Info

ID:	287054
PubChem CID:	104231733
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	7.92
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=C(C=N2)C(=O)N)O

DOS

IR

Vibrations