Geometry & MOs

Info

ID:	200771
PubChem CID:	79442553
Reduced:	BrOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	295.170292
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	1.07
IP(EA), eV:	-8.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C21)CC(CO)C3=CC(=CC=C3)Br

DOS

IR

Vibrations