Geometry & MOs

Info

ID:	391827
PubChem CID:	135009996
Reduced:	O4C29H40 (1)
Stoich.:	A4B29C40 (1)
Weight, g/mol:	405.209264
ΔH_f, kcal/mol:	-127.1
Dipole, Da:	4.86
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-8-(2,2-diphenylethenyl)-2,3,3a,4,5,6,8,9-octahydro-1H-phenaleno[1,2-c]pyrrol-10-one

Drug info:

PubChemData

Smile

C/C=C(\C)/[C@@H]1[C@@](O1)(C)/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/C=C(\C)/[C@@H]2[C@H](C(=C(C(=O)O2)C)O)C

DOS

IR

Vibrations