Geometry & MOs

Info

ID:	27525
PubChem CID:	821850
Reduced:	OSN2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	299.101839
ΔH_f, kcal/mol:	3.57
Dipole, Da:	2.38
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CC1=NSC2=CC=CC=C21

DOS

IR

Vibrations