Geometry & MOs

Info

ID:	262780
PubChem CID:	103316783
Reduced:	SN4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	302.065989
ΔH_f, kcal/mol:	108.04
Dipole, Da:	3.47
IP(EA), eV:	-8.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylthiophen-2-yl)-7-thiophen-3-yl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=CC3=NCCC(N3N2)C4=CN=CC=C4

DOS

IR

Vibrations