Geometry & MOs

Info

ID:	122258
PubChem CID:	50800243
Reduced:	N2S2O5C19H20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-167.6
Dipole, Da:	7.18
IP(EA), eV:	-8.99(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-diethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)S3)C(C)C

DOS

IR

Vibrations