Geometry & MOs

Info

ID:	150676
PubChem CID:	53790370
Reduced:	O2C23H28 (1)
Stoich.:	A2B23C28 (1)
Weight, g/mol:	417.287909
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	2.19
IP(EA), eV:	-9.09(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[(3S)-7-cyclohexyl-3-(methoxymethoxy)hept-1-enyl]-2-nitrobenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C(COC(=O)C2C(C2(C)C)C=C(C)C)C#C)C

DOS

IR

Vibrations