Geometry & MOs

Info

ID:	332915
PubChem CID:	127251339
Reduced:	FON2C12H12 (2)
Stoich.:	ABC2D12E12 (2)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	9.52
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[4-[(5-fluoropyridin-2-yl)amino]-6-methylpyridin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CCOC3=CC(=CC=C3)F)NC4=NC=C(C=C4)F

DOS

IR

Vibrations