Geometry & MOs

Info

ID:	426667
PubChem CID:	135153232
Reduced:	N2O3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	320.108026
ΔH_f, kcal/mol:	-147.06
Dipole, Da:	2.22
IP(EA), eV:	-8.22(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3,3-dimethyl-1-quinolin-6-yl-4H-isoquinoline

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)N

DOS

IR

Vibrations