Geometry & MOs

Info

ID:	136191
PubChem CID:	51994832
Reduced:	ClNO2C20H27 (1)
Stoich.:	ABC2D20E27 (1)
Weight, g/mol:	388.063787
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002121
Charge, e:	1

Chem-info

IUPAC name:

[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-ethylazanium

Drug info:

PubChemData

Smile

CCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2C)OCC

DOS

IR

Vibrations