Geometry & MOs

Info

ID:	360275
PubChem CID:	127300918
Reduced:	OS2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	60.02
Dipole, Da:	9.56
IP(EA), eV:	-8.84(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

DOS

IR

Vibrations