Geometry & MOs

Info

ID:	200774
PubChem CID:	79443067
Reduced:	BrNSC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	297.07283
ΔH_f, kcal/mol:	41.81
Dipole, Da:	0.81
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-(oxolan-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(CCC2=CSC=C2)CN

DOS

IR

Vibrations