Geometry & MOs

Info

ID:	54624
PubChem CID:	17389006
Reduced:	ON3H19C27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	407.109233
ΔH_f, kcal/mol:	132.87
Dipole, Da:	3.99
IP(EA), eV:	-8.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,10bS)-2-phenyl-3-(thiophene-2-carbonyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H]([C@@]2(C#N)C(=O)C4=CC=CC=C4)C=CC5=CC=CC=C53)C#N

DOS

IR

Vibrations