Geometry & MOs

Info

ID:	403042
PubChem CID:	135058497
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	303.071842
ΔH_f, kcal/mol:	-99.81
Dipole, Da:	3.94
IP(EA), eV:	-9.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-nitro-5-[4-(trifluoromethyl)phenyl]pent-4-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C/CC(C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations