Geometry & MOs

Info

ID:	270078
PubChem CID:	103626099
Reduced:	BrNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	312.99361
ΔH_f, kcal/mol:	7.29
Dipole, Da:	2.52
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-N-[(2-fluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNCCC2=CC=C(S2)Br)OC

DOS

IR

Vibrations