Geometry & MOs

Info

ID:	335742
PubChem CID:	127254604
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	336.133474
ΔH_f, kcal/mol:	23.25
Dipole, Da:	4.63
IP(EA), eV:	-8.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethoxyphenyl)-7-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)COC3=CC=CC=C3N4C=NN=C4

DOS

IR

Vibrations