Geometry & MOs

Info

ID:	332918
PubChem CID:	127251342
Reduced:	FON6C23H27 (1)
Stoich.:	ABC6D23E27 (1)
Weight, g/mol:	436.207468
ΔH_f, kcal/mol:	1.71
Dipole, Da:	4.03
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)CC3=CN=C(N=C3)CCOC)NC4=NC=C(C=C4)F

DOS

IR

Vibrations