Geometry & MOs

Info

ID:	396635
PubChem CID:	135028965
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	243.11201
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	1.89
IP(EA), eV:	-8.9(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-2,4-dihydropyran-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)O)/C(=C\CO)/C2=CC=CC=C2

DOS

IR

Vibrations