Geometry & MOs

Info

ID:	137022
PubChem CID:	52140045
Reduced:	FON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	1.21
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(dimethylamino)-4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)CC2=NC=C(O2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations