Geometry & MOs

Info

ID:	391733
PubChem CID:	135009063
Reduced:	ClN2O3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	243.117687
ΔH_f, kcal/mol:	-37.75
Dipole, Da:	3.66
IP(EA), eV:	-8.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2R,5R)-2,5-dimethylphospholan-1-yl]quinoline

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2C(N1NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)OC)OC

DOS

IR

Vibrations