Geometry & MOs

Info

ID:	335509
PubChem CID:	127254371
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-120.07
Dipole, Da:	3.73
IP(EA), eV:	-8.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(C=C3)SC)O

DOS

IR

Vibrations