Geometry & MOs

Info

ID:	31127
PubChem CID:	854688
Reduced:	SN5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	348.000323
ΔH_f, kcal/mol:	128.76
Dipole, Da:	4.55
IP(EA), eV:	-8.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2,4-dichlorophenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H]2C=C(NC3=NC=NN23)C4=CC=CS4

DOS

IR

Vibrations