Geometry & MOs

Info

ID:	330761
PubChem CID:	127248168
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	355.205991
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	6.01
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(3-fluoroanilino)-6-methylpyridin-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CNC(=O)C)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations