Geometry & MOs

Info

ID:	156715
PubChem CID:	56371886
Reduced:	SN3O4C25H39 (1)
Stoich.:	AB3C4D25E39 (1)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	-169.93
Dipole, Da:	3.53
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloroquinolin-6-yl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CCN(C2)C3CCCCCC3)S(=O)(=O)N4CCCCCC4

DOS

IR

Vibrations