Geometry & MOs

Info

ID:	228006
PubChem CID:	87563216
Reduced:	BrO2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	508.308979
ΔH_f, kcal/mol:	41.02
Dipole, Da:	4.59
IP(EA), eV:	-9.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-[(3'S,4R)-2-butylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-2,4-diphenylpiperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)ONC2=CN3C=C(C=CC3=N2)Br

DOS

IR

Vibrations