Geometry & MOs

Info

ID:	427175
PubChem CID:	135155875
Reduced:	O2F3N4H23C31 (1)
Stoich.:	A2B3C4D23E31 (1)
Weight, g/mol:	580.258674
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	2.62
IP(EA), eV:	-9.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)C=C(C=C2)F

DOS

IR

Vibrations