Geometry & MOs

Info

ID:

190994

PubChem CID:

78092180

Reduced:

FO2N5C26H30 (1)

Stoich.:

AB2C5D26E30 (1)

Weight, g/mol:

449.222703

ΔHf, kcal/mol:

-24.36

Dipole, Da:

7.65

IP(EA), eV:

 -8.91(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-fluoro-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

CC1CNCCN1C(=O)C2CC(=C3C=CC(=O)C=C3F)NC4C2C(NN4)C=CC5=CC=CC=C5

DOS

IR

Vibrations