Geometry & MOs

Info

ID:	183138
PubChem CID:	76983311
Reduced:	BrClNO2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	355.11469
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	4.97
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-but-2-enoxy-5-ethoxyphenyl)methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CNC(C)(C)C)Br)OCC=CCl

DOS

IR

Vibrations