Geometry & MOs

Info

ID:	182145
PubChem CID:	76853132
Reduced:	N2O5H24C28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	420.1452
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	4.7
IP(EA), eV:	-8.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-ylethyl 4-[(3-chloro-2-hydroxy-5-methylphenyl)methylamino]-2-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2OCN3C=NC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations