Geometry & MOs

Info

ID:	392893
PubChem CID:	135018325
Reduced:	N3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	297.101251
ΔH_f, kcal/mol:	80.51
Dipole, Da:	1.29
IP(EA), eV:	-8.36(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-2-acetyl-3-(4-fluorophenyl)-4-nitrobutanoate

Drug info:

PubChemData

Smile

CNCC1=CC(=CC=C1)N/N=C/C2=CC=CC=C2

DOS

IR

Vibrations