Geometry & MOs

Info

ID:	163886
PubChem CID:	74380617
Reduced:	FN3O5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-153.42
Dipole, Da:	2.3
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)ethyl 4-[4-[2-cyano-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=CC(=O)NO)F

DOS

IR

Vibrations