Geometry & MOs

Info

ID:	402252
PubChem CID:	135055222
Reduced:	N3O6C23H27 (1)
Stoich.:	A3B6C23D27 (1)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-185.82
Dipole, Da:	3.59
IP(EA), eV:	-9.76(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3aS,5E,8E,9aS)-6-(methoxymethyl)-3a-methyl-8-propan-2-yl-3,4,7,9a-tetrahydro-1H-cyclopenta[8]annulene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)NN([C@H](C)/C(=N/C(=O)OCC1=CC=CC=C1)/C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations