Geometry & MOs

Info

ID:	335954
PubChem CID:	127254961
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	352.117155
ΔH_f, kcal/mol:	32.08
Dipole, Da:	2.45
IP(EA), eV:	-8.94(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)NC(=O)C2=NNC3=C2CCCCC3

DOS

IR

Vibrations