Geometry & MOs

Info

ID:	192779
PubChem CID:	78311733
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	3.91
IP(EA), eV:	-9.22(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepane-1-carbonyl)-6,8-dimethoxy-3H-quinolin-4-one

Drug info:

PubChemData

Smile

C=C1C=CC2=NC(=O)C(=CC2=C1)CN(C3CCCCC3)C(=O)N4CCOCC4

DOS

IR

Vibrations