Geometry & MOs

Info

ID:	46248
PubChem CID:	10523496
Reduced:	FNO5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	6.3
IP(EA), eV:	-8.8(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-(2-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)CCCCC2=CC(=C(C=C2)F)[N+](=O)[O-])O

DOS

IR

Vibrations