Geometry & MOs

Info

ID:	425014
PubChem CID:	135124867
Reduced:	SN3O4C28H33 (1)
Stoich.:	AB3C4D28E33 (1)
Weight, g/mol:	410.199428
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	5.38
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-(6-quinolin-3-ylspiro[chromene-2,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=CC(=C(S3)C)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)O)C)N=N1

DOS

IR

Vibrations