Geometry & MOs

Info

ID:

448961

PubChem CID:

135294823

Reduced:

FC33H47 (1)

Stoich.:

AB33C47 (1)

Weight, g/mol:

481.254084

ΔHf, kcal/mol:

-29.1

Dipole, Da:

1.8

IP(EA), eV:

 -8.26(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[(4,4-difluorocyclohexyl)methyl]-3-(1,4,6,7-tetrahydro-2,3-benzodioxin-6-yl)pyrrolo[3,2-b]pyridin-6-yl]-4-methylpent-3-en-2-imine

Drug info:

PubChemData

Smile

CCC1=C(C(C=C1/C(=C/C=C(\C)/C=C)/C=CC(C)C)CC2(CCC(C2)(C)C)F)/C=C/C(=C)CC

DOS

IR

Vibrations