Geometry & MOs

Info

ID:	43064
PubChem CID:	10318270
Reduced:	ClFN2O2C21H24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	390.090183
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	2.47
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclohexyl-2-(2,4-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=C(C=C(C=C3)F)N

DOS

IR

Vibrations