Geometry & MOs

Info

ID:

186691

PubChem CID:

77467831

Reduced:

N3O5C42H59 (1)

Stoich.:

A3B5C42D59 (1)

Weight, g/mol:

382.211724

ΔHf, kcal/mol:

-122.25

Dipole, Da:

11.86

IP(EA), eV:

 -6.28(-2.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3-hydroxy-2,2,3-trimethylcyclopentyl)amino]-6-(2-methylpyrazol-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC=C(C5(C)C)C6=CC=C(C=C6)C(=O)O)C)C)NC(=O)N7CCNC(C7)C(=O)O

DOS

IR

Vibrations