Geometry & MOs

Info

ID:	214567
PubChem CID:	85083205
Reduced:	O4C16H19 (2)
Stoich.:	A4B16C19 (2)
Weight, g/mol:	550.283158
ΔH_f, kcal/mol:	-301.9
Dipole, Da:	6.8
IP(EA), eV:	-9.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-benzoyloxypropyl)-3-benzyl-4-ethyl-2,3a,5,7-tetrahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1C2CC(=O)C(=C1C(C(C3(CCC(C(=C)C3C2O)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations