Geometry & MOs

Info

ID:	174466
PubChem CID:	75766342
Reduced:	NOCl2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	414.139145
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.091310
Charge, e:	1

Chem-info

IUPAC name:

[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl-(4-phenylbutan-2-yl)azanium

Drug info:

PubChemData

Smile

CCC(C)[NH2+]CC1=CC=C(C=C1)OCC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations