Geometry & MOs

Info

ID:	320356
PubChem CID:	126659744
Reduced:	OF2N3C27H29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	3.5
IP(EA), eV:	-8.22(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-cyclopropyl-3,6-dimethyl-4-(4-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C2C(=C1C3=C(C4=C(C=C3)OCCN4C)C)CCN2CC5=C(C(=CC=C5)F)F)C

DOS

IR

Vibrations