Geometry & MOs

Info

ID:	260166
PubChem CID:	103183640
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	343.11469
ΔH_f, kcal/mol:	-80.56
Dipole, Da:	3.36
IP(EA), eV:	-8.89(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-N-ethyl-4-(3-methoxypropoxy)butan-1-amine

Drug info:

PubChemData

Smile

CCNCC(CCOCCCOC)C1=CC=CC=C1

DOS

IR

Vibrations