Geometry & MOs

Info

ID:	133624
PubChem CID:	51564195
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	437.02623
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	3.69
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dibromo-2-ethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)azanium

Drug info:

PubChemData

Smile

CCN1C(=NC2=CC=CC=C2C1=O)C[C@@H]3C4=C(C=CC(=C4)C)N(C3=O)C(C)C

DOS

IR

Vibrations