Geometry & MOs

Info

ID:	335908
PubChem CID:	127254770
Reduced:	SO2N7C14H15 (1)
Stoich.:	AB2C7D14E15 (1)
Weight, g/mol:	394.144119
ΔH_f, kcal/mol:	22.56
Dipole, Da:	7.94
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C=NN=N3

DOS

IR

Vibrations