Geometry & MOs

Info

ID:	275471
PubChem CID:	103816315
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	344.95898
ΔH_f, kcal/mol:	-24.73
Dipole, Da:	4.9
IP(EA), eV:	-9.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-chlorophenyl)methylamino]-1-thiophen-3-ylethanol

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NCC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations