Geometry & MOs

Info

ID:	407847
PubChem CID:	135080602
Reduced:	ON2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	274.01635
ΔH_f, kcal/mol:	58.39
Dipole, Da:	2.6
IP(EA), eV:	-8.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-chloro-5-(3-chlorophenyl)-3-hydroxypent-4-enoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1[N+](=CC=C3)[O-]

DOS

IR

Vibrations