Geometry & MOs

Info

ID:	425178
PubChem CID:	135125432
Reduced:	SO2F3N4H17C23 (1)
Stoich.:	AB2C3D4E17F23 (1)
Weight, g/mol:	412.215078
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	6.93
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[6-(8-methylquinolin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)C4CC4

DOS

IR

Vibrations