Geometry & MOs

Info

ID:	309496
PubChem CID:	126546612
Reduced:	ON2C27H32 (1)
Stoich.:	AB2C27D32 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	20.47
Dipole, Da:	3.53
IP(EA), eV:	-8.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-O-methyl 2-O-[2-[methyl-[(Z)-2-methylidenepent-3-enoyl]amino]ethyl] naphthalene-2,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C3)C([C@]5(CN6[C@@H]5N4C=C6)C)CC

DOS

IR

Vibrations