Geometry & MOs

Info

ID:	427173
PubChem CID:	135155870
Reduced:	FO2N4H25C31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	519.238273
ΔH_f, kcal/mol:	8.39
Dipole, Da:	2.6
IP(EA), eV:	-9.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1C(=O)C3=CC(=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6)F

DOS

IR

Vibrations