Geometry & MOs

Info

ID:	326079
PubChem CID:	126686374
Reduced:	O3N5H25C29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	434.15902
ΔH_f, kcal/mol:	6.11
Dipole, Da:	3.36
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1,3-dioxo-2-[(1R,2S)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN2[C@@H](CN1C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C(=O)N(C2=O)C5CC5C6=CC=C(C=C6)C#N

DOS

IR

Vibrations