Geometry & MOs

Info

ID:

323295

PubChem CID:

126674037

Reduced:

FH22C35 (2)

Stoich.:

AB22C35 (2)

Weight, g/mol:

306.061612

ΔHf, kcal/mol:

156.01

Dipole, Da:

0.08

IP(EA), eV:

 -8.1(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,7-difluoro-1-[(2-fluoropyridin-4-yl)methyl]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C3C=C2)C4=C1C=C5C6=CC7=C(C=C6C8(C5=C4)C9=CC=CC=C9C1=C8C=C(C=C1)F)C1=CC2=C(C=C1C71C3=CC=CC=C3C3=C1C=C(C=C3)F)C1=C(C2(C)C)C=CC2=CC=CC=C21)C

DOS

IR

Vibrations