Geometry & MOs

Info

ID:

420428

PubChem CID:

135113062

Reduced:

O5N7C35H47 (1)

Stoich.:

A5B7C35D47 (1)

Weight, g/mol:

335.19574

ΔHf, kcal/mol:

-109.25

Dipole, Da:

6.77

IP(EA), eV:

 -8.13(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-hydroxy-2-(4-propyl-1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](CN2C(=C3C=CC=CC3=N2)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)CC(C)C)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations