Geometry & MOs

Info

ID:	361403
PubChem CID:	127303269
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	42.42
Dipole, Da:	9.29
IP(EA), eV:	-9.56(-0.42)
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)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations