Geometry & MOs

Info

ID:	193312
PubChem CID:	78374720
Reduced:	ClN2O5C28H39 (1)
Stoich.:	AB2C5D28E39 (1)
Weight, g/mol:	259.144653
ΔH_f, kcal/mol:	-223.78
Dipole, Da:	4.01
IP(EA), eV:	-9.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-3-(morpholin-4-ium-4-ylmethyl)-3H-quinolin-4-one

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=CC=C3)C(=O)CN(CCOC)C(=O)C(C)(C)CCl

DOS

IR

Vibrations