Geometry & MOs

Info

ID:	403573
PubChem CID:	135060899
Reduced:	N2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	609.309038
ΔH_f, kcal/mol:	25.71
Dipole, Da:	2.81
IP(EA), eV:	-8.83(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-dipentyl-4-phenyl-1,3-dioxolan-4-yl]-2-phenylcyclohexa-1,5-dien-1-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCCCCCC(=C)/C=C\N1C(=CC(=N1)C)C

DOS

IR

Vibrations