Geometry & MOs

Info

ID:

190995

PubChem CID:

78092181

Reduced:

FO2N5C25H28 (1)

Stoich.:

AB2C5D25E28 (1)

Weight, g/mol:

465.193153

ΔHf, kcal/mol:

-9.43

Dipole, Da:

7.76

IP(EA), eV:

 -8.75(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-4-[3-(2-phenylethenyl)-4-(piperazine-1-carbonyl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-b]pyridin-6-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)C2CC(=C3C=CC(=O)C(=C3)F)NC4C2C(NN4)C=CC5=CC=CC=C5

DOS

IR

Vibrations