Geometry & MOs

Info

ID:	361390
PubChem CID:	127303256
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	51.5
Dipole, Da:	10.3
IP(EA), eV:	-9.5(-0.01)
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)-(4-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN(C=C1C(=O)N2CCN3C(=NN=C3C4CC4)C2)C

DOS

IR

Vibrations