Geometry & MOs

Info

ID:	391436
PubChem CID:	135005083
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	-162.37
Dipole, Da:	5.23
IP(EA), eV:	-9.2(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,3a-dihydro-2H-cyclohepta[b]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CO[C@@H](C[C@@H]1CCCC(=O)O1)COCC2=CC=CC=C2

DOS

IR

Vibrations