Geometry & MOs

Info

ID:	332907
PubChem CID:	127251331
Reduced:	F2O2N4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	447.187067
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	4.79
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1-methylindol-2-yl)-[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)COC3=CC=CC=C3F)NC4=NC=C(C=C4)F

DOS

IR

Vibrations