Geometry & MOs

Info

ID:	202084
PubChem CID:	79626587
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-13.27
Dipole, Da:	4.47
IP(EA), eV:	-9.62(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(methoxymethyl)phenoxy]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

Drug info:

PubChemData

Smile

CNC1(CCCC(C1)OC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C#N

DOS

IR

Vibrations