Geometry & MOs

Info

ID:	259962
PubChem CID:	103178779
Reduced:	BrNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	257.235479
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	2.44
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxypropoxy)ethyl]-4-propylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NCCOCCCOC

DOS

IR

Vibrations