Geometry & MOs

Info

ID:	54278
PubChem CID:	16957340
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	353.04463
ΔH_f, kcal/mol:	15.97
Dipole, Da:	4.86
IP(EA), eV:	-9.05(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-dichloro-2-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)N=CN2)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations