Geometry & MOs

Info

ID:	336011
PubChem CID:	127255018
Reduced:	N4O4H18C19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	-87.05
Dipole, Da:	3.06
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations