Geometry & MOs

Info

ID:	272465
PubChem CID:	103743559
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	421.0075
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	3.84
IP(EA), eV:	-9.47(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromo-2-ethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations