Geometry & MOs

Info

ID:	306403
PubChem CID:	125011595
Reduced:	F2O2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	353.191483
ΔH_f, kcal/mol:	-191.87
Dipole, Da:	2.21
IP(EA), eV:	-9.51(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC[C@H]2CN(CCO2)C(=O)C3CCC(CC3)(F)F

DOS

IR

Vibrations