Geometry & MOs

Info

ID:	379352
PubChem CID:	134419133
Reduced:	F3O3N4H15C16 (1)
Stoich.:	A3B3C4D15E16 (1)
Weight, g/mol:	423.190654
ΔH_f, kcal/mol:	-157.41
Dipole, Da:	7.66
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[[6-(3-cyanophenyl)pyrimidin-4-yl]carbamoyl]-5-methylmorpholine-4-carboxylate

Drug info:

PubChemData

Smile

C1CO[C@H](CN1C#N)C(=O)NC2=CC(=NO2)C3=CC=CC(C3)C(F)(F)F

DOS

IR

Vibrations