Geometry & MOs

Info

ID:	326063
PubChem CID:	126686305
Reduced:	ClOSN8C28H33 (1)
Stoich.:	ABCD8E28F33 (1)
Weight, g/mol:	484.191069
ΔH_f, kcal/mol:	76.71
Dipole, Da:	4.79
IP(EA), eV:	-8.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-2-phenylcyclopropyl)-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)CC#N

DOS

IR

Vibrations