Geometry & MOs

Info

ID:	392894
PubChem CID:	135018326
Reduced:	FNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	358.097187
ΔH_f, kcal/mol:	-178.56
Dipole, Da:	8.56
IP(EA), eV:	-9.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-but-3-enyl-5-(4-chlorophenyl)benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C[N+](=O)[O-])C1=CC=C(C=C1)F)C(=O)C

DOS

IR

Vibrations