Geometry & MOs

Info

ID:	60462
PubChem CID:	26697041
Reduced:	FN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	444.213461
ΔH_f, kcal/mol:	-182.91
Dipole, Da:	6.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.143726
Charge, e:	1

Chem-info

IUPAC name:

3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC[NH+]2CCOCC2)OCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations