Geometry & MOs

Info

ID:	26562
PubChem CID:	652938
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	469.280138
ΔH_f, kcal/mol:	-104.74
Dipole, Da:	5.85
IP(EA), eV:	-8.15(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-(3-morpholin-4-ylpropyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C)C

DOS

IR

Vibrations