Geometry & MOs

Info

ID:	204635
PubChem CID:	79990269
Reduced:	ClN2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	314.9751
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	1.4
IP(EA), eV:	-9.93(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-thiophen-2-ylethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C23CC4CC(C2)(CC(C4)(C3)C)C)CCl

DOS

IR

Vibrations