Geometry & MOs

Info

ID:	54277
PubChem CID:	16957339
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	89.29
Dipole, Da:	5.92
IP(EA), eV:	-8.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-7-(3-phenoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations