Geometry & MOs

Info

ID:

396284

PubChem CID:

135027919

Reduced:

N7O10C46H65 (1)

Stoich.:

A7B10C46D65 (1)

Weight, g/mol:

252.112344

ΔHf, kcal/mol:

-443.62

Dipole, Da:

5.65

IP(EA), eV:

 -8.35(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,5-diamino-7,8,9,10-tetrahydropyrazolo[5,1-a]isoquinoline-1,6-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2C)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)OC(C)(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations