Geometry & MOs

Info

ID:	174471
PubChem CID:	75767053
Reduced:	ClNO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	288.136646
ΔH_f, kcal/mol:	-103.16
Dipole, Da:	5.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.062746
Charge, e:	1

Chem-info

IUPAC name:

(5-chloro-3-methoxy-2-propoxyphenyl)methyl-(2-hydroxypropyl)azanium

Drug info:

PubChemData

Smile

CC(C[NH2+]CC1=C(C(=CC(=C1)Cl)OC)OC)O

DOS

IR

Vibrations