Geometry & MOs

Info

ID:	135332
PubChem CID:	51852439
Reduced:	NO3C23H32 (1)
Stoich.:	AB3C23D32 (1)
Weight, g/mol:	435.11446
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	7.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037154
Charge, e:	1

Chem-info

IUPAC name:

(3-ethoxy-5-iodo-4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)azanium

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C3=CC=CC=C3)O)OC

DOS

IR

Vibrations