Geometry & MOs

Info

ID:	405579
PubChem CID:	135074510
Reduced:	NO7H13C14 (1)
Stoich.:	AB7C13D14 (1)
Weight, g/mol:	530.2077
ΔH_f, kcal/mol:	-156.94
Dipole, Da:	4.52
IP(EA), eV:	-10.67(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[1-[(E)-4-iodobut-3-enyl]-6-methoxy-8a-methyl-6-prop-2-enyl-3,5,7,8-tetrahydro-2H-naphthalen-1-yl]oxy]-dimethylsilane

Drug info:

PubChemData

Smile

COC(=O)C1(CC1C2=C(C=CC(=C2)[N+](=O)[O-])C=O)C(=O)OC

DOS

IR

Vibrations