Geometry & MOs

Info

ID:	151480
PubChem CID:	53812493
Reduced:	N2O5C30H49 (1)
Stoich.:	A2B5C30D49 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	-226.97
Dipole, Da:	3.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752047
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-naphthalen-2-ylocta-5,7-dienoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=C(C=C1)C2CCC(CC2)[N+](C)(C)C3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations