Geometry & MOs

Info

ID:	318812
PubChem CID:	126653420
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	301.112564
ΔH_f, kcal/mol:	11.61
Dipole, Da:	2.79
IP(EA), eV:	-9.06(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2,6-difluoro-4-methylphenyl)-2-methyl-4-nitrobutanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CN=C1NOC)C2=CC=C(C=C2)C

DOS

IR

Vibrations