Geometry & MOs

Info

ID:	174998
PubChem CID:	75843701
Reduced:	FO4N5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	422.170253
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	3.97
IP(EA), eV:	-8.31(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-pyridin-4-yl-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=C(C=C3)F)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations