Geometry & MOs

Info

ID:	402044
PubChem CID:	135054001
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	496.209718
ΔH_f, kcal/mol:	-129.49
Dipole, Da:	4.03
IP(EA), eV:	-9.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,3S,7aR)-3-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-3,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-6,6-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H]([C@H](CC1=CC=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

DOS

IR

Vibrations