Geometry & MOs

Info

ID:	361402
PubChem CID:	127303268
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	20.22
Dipole, Da:	10.77
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2,3-dihydro-1H-inden-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations