Geometry & MOs

Info

ID:	427097
PubChem CID:	135155513
Reduced:	ClSN3F5O6C31H33 (1)
Stoich.:	ABC3D5E6F31G33 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-456.25
Dipole, Da:	8.06
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-6-methyl-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Cl)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations