Geometry & MOs

Info

ID:	320342
PubChem CID:	126659582
Reduced:	OF2N2C28H30 (1)
Stoich.:	AB2C2D28E30 (1)
Weight, g/mol:	474.195486
ΔH_f, kcal/mol:	-86.5
Dipole, Da:	1.2
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CN(C3=NC(=C2C(C)OC(C)(C)C)C)CC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations