Geometry & MOs

Info

ID:	320348
PubChem CID:	126659635
Reduced:	BrNO2F5H17C21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	448.159849
ΔH_f, kcal/mol:	-247.53
Dipole, Da:	3.28
IP(EA), eV:	-9.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2,3-difluorophenyl)methyl]-4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrrolo[2,3-b]pyridin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NOC(C1C(C(/C=C/C2=CC=C(C=C2)C(F)(F)F)(F)F)O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations