Geometry & MOs

Info

ID:	449650
PubChem CID:	135300329
Reduced:	O2N6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	390.151433
ΔH_f, kcal/mol:	60.11
Dipole, Da:	5.72
IP(EA), eV:	-9.04(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C4=CN=CN=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations