Geometry & MOs

Info

ID:	147776
PubChem CID:	53787434
Reduced:	N3O7C24H25 (1)
Stoich.:	A3B7C24D25 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	2.85
IP(EA), eV:	-9.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-N-(2-methoxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)oxy]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(C1C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C)CCC(C3=CC=CC=C3)O

DOS

IR

Vibrations