Geometry & MOs

Info

ID:	165511
PubChem CID:	74559726
Reduced:	BrO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	402.239282
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	11.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.959324
Charge, e:	1

Chem-info

IUPAC name:

[4-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]methyl-(2-pyridin-2-ylethyl)azanium

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC(=C(C=C4)OC)OC)C2=O

DOS

IR

Vibrations