Geometry & MOs

Info

ID:	391265
PubChem CID:	135003998
Reduced:	NO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	463.178358
ΔH_f, kcal/mol:	-182.54
Dipole, Da:	4.98
IP(EA), eV:	-9.2(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2R,10bS)-1,1-diacetyl-2-hydroxy-2-phenyl-10bH-pyrrolo[2,1-a]isoquinolin-3-ylidene]-1-phenylethanone

Drug info:

PubChemData

Smile

CN(C)[C@H]1[C@H]([C@H]([C@@H]1C(=O)OC)C(=O)OC)COCC2=CC=CC=C2

DOS

IR

Vibrations