Geometry & MOs

Info

ID:	126083
PubChem CID:	50950871
Reduced:	ON3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	4.85
IP(EA), eV:	-8.66(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN(CC2CCOC2)C(C)C

DOS

IR

Vibrations