Geometry & MOs

Info

ID:	200773
PubChem CID:	79442802
Reduced:	ClNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	309.01868
ΔH_f, kcal/mol:	-25.82
Dipole, Da:	1.88
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-thiophen-3-ylbutan-1-amine

Drug info:

PubChemData

Smile

COCCCC(CNC1CC1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations