Geometry & MOs

Info

ID:	136190
PubChem CID:	51994831
Reduced:	ClNO2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	348.173032
ΔH_f, kcal/mol:	-40.01
Dipole, Da:	7.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.046141
Charge, e:	1

Chem-info

IUPAC name:

[3-chloro-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-propylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations