Geometry & MOs

Info

ID:	332894
PubChem CID:	127251318
Reduced:	FON6C22H23 (1)
Stoich.:	ABC6D22E23 (1)
Weight, g/mol:	406.180504
ΔH_f, kcal/mol:	-3.88
Dipole, Da:	8.03
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)CC(=O)NC3=CC=C(C=C3)F)NC4=NC=CC=N4

DOS

IR

Vibrations