Geometry & MOs

Info

ID:	165835
PubChem CID:	74603494
Reduced:	O2C15H23 (1)
Stoich.:	A2B15C23 (1)
Weight, g/mol:	430.134059
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	3.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889390
Charge, e:	1

Chem-info

IUPAC name:

[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC1(C(=O)C2(C1(C=C2)C(C)(C)C)C(C)(C)C)[O-]

DOS

IR

Vibrations