Geometry & MOs

Info

ID:	193995
PubChem CID:	78465009
Reduced:	NO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	270.126082
ΔH_f, kcal/mol:	13.15
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.210846
Charge, e:	1

Chem-info

IUPAC name:

(5-chloro-2-ethoxyphenyl)methyl-(oxolan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC=CC3=CC=CC=C3

DOS

IR

Vibrations