Geometry & MOs

Info

ID:	136168
PubChem CID:	51990274
Reduced:	NCl2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	415.074199
ΔH_f, kcal/mol:	-82.62
Dipole, Da:	9.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.082956
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C[NH2+]CCCOC)Cl

DOS

IR

Vibrations