Geometry & MOs

Info

ID:	259564
PubChem CID:	103168230
Reduced:	BrNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	275.224915
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	1.49
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(CC2=CC=CC=C2Br)NC

DOS

IR

Vibrations