Geometry & MOs

Info

ID:	174999
PubChem CID:	75843702
Reduced:	O4N6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	437.169919
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	3.81
IP(EA), eV:	-8.38(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(C1C(=O)N)C3=CC=NC=C3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations