Geometry & MOs

Info

ID:	326078
PubChem CID:	126686373
Reduced:	N4O4H28C29 (1)
Stoich.:	A4B4C28D29 (1)
Weight, g/mol:	491.19574
ΔH_f, kcal/mol:	-62.69
Dipole, Da:	4.44
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-2-[2-(4-cyanophenyl)cyclopropyl]-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CC2N3C(=O)[C@@H]4CN(CCN4C3=O)C(=O)NC5=CC=CC=C5C6=CC=CC=C6

DOS

IR

Vibrations