Geometry & MOs

Info

ID:	403041
PubChem CID:	135058494
Reduced:	ClNF2O3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-212.74
Dipole, Da:	3.29
IP(EA), eV:	-9.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-5-(4-acetylphenyl)-2-nitropent-4-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=C(C=CC(=C1)OC(F)F)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations