Geometry & MOs

Info

ID:

326077

PubChem CID:

126686368

Reduced:

Cl2O3N5H19C23 (1)

Stoich.:

A2B3C5D19E23 (1)

Weight, g/mol:

496.211055

ΔHf, kcal/mol:

-28.08

Dipole, Da:

4.67

IP(EA), eV:

 -9.47(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)NC3=C(C=C(C=C3Cl)C#N)Cl)C(=O)N(C2=O)[C@@H]4C[C@H]4C5=CC=CC=C5

DOS

IR

Vibrations