Geometry & MOs

Info

ID:	361382
PubChem CID:	127303248
Reduced:	ClO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	34.67
Dipole, Da:	8.08
IP(EA), eV:	-9.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations