Geometry & MOs

Info

ID:	307505
PubChem CID:	125307226
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	429.088019
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	3.52
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,9aR,9bR)-4-benzoyl-2-(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)NC(=O)C2=C3CCN(C3=CC=C2)CCOC

DOS

IR

Vibrations