Geometry & MOs

Info

ID:	208453
PubChem CID:	80531581
Reduced:	BrClOSC12H14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	390.96445
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	2.3
IP(EA), eV:	-9.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanamine

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)C2=CC(=C(S2)Br)Cl

DOS

IR

Vibrations