Geometry & MOs

Info

ID:	402182
PubChem CID:	135054761
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-189.94
Dipole, Da:	4.22
IP(EA), eV:	-9.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-4-(4-methoxyphenyl)-2,6,9-trimethyl-3-nitro-1,2,3,4-tetrahydrocarbazole

Drug info:

PubChemData

Smile

CCOC(=O)OC1(CCCC1(OCC)OCC)[N+]#[C-]

DOS

IR

Vibrations