Geometry & MOs

Info

ID:	397437
PubChem CID:	135030219
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	5.07
IP(EA), eV:	-10.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-9-[(4-methoxyphenyl)methoxy]non-4-enoate

Drug info:

PubChemData

Smile

C1COC(O1)CC(C2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations