Geometry & MOs

Info

ID:	411425
PubChem CID:	135084250
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-6.59
Dipole, Da:	4.13
IP(EA), eV:	-9.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-6-hydroxy-2-phenylhex-4-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C/CC/C=C\CCCN=[N+]=[N-]

DOS

IR

Vibrations