Geometry & MOs

Info

ID:	245466
PubChem CID:	99445092
Reduced:	FN2O4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	440.185983
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	5.05
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)N(CC3=CC=CO3)C4=CC=CC=C4F

DOS

IR

Vibrations