Geometry & MOs

Info

ID:	13635
PubChem CID:	396360
Reduced:	O6C27H34 (1)
Stoich.:	A6B27C34 (1)
Weight, g/mol:	454.235539
ΔH_f, kcal/mol:	-222.91
Dipole, Da:	4.7
IP(EA), eV:	-8.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-5-[1-(4-methoxy-3-methoxycarbonyl-5-methylphenyl)hept-1-enyl]-3-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCC=C(C1=CC(=C(C(=C1)C)OC)C(=O)OC)C2=CC(=C(C(=C2)C)OC)C(=O)OC

DOS

IR

Vibrations