Geometry & MOs

Info

ID:	361384
PubChem CID:	127303250
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	4.42
IP(EA), eV:	-9.57(0.19)
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-cyclopenta[b]quinolin-9-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)OCC(=O)N2CCN3C(=NN=C3C4CC4)C2

DOS

IR

Vibrations