Geometry & MOs

Info

ID:	400674
PubChem CID:	135048692
Reduced:	BBrOC17H34 (1)
Stoich.:	ABCD17E34 (1)
Weight, g/mol:	361.147649
ΔH_f, kcal/mol:	-151.69
Dipole, Da:	1.83
IP(EA), eV:	-9.37(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;3-methyl-N-(4-methylphenyl)-N-[4-(2H-thiophen-2-id-5-yl)phenyl]aniline

Drug info:

PubChemData

Smile

B(/C(=C/CCCCCC)/Br)(C(C)(C)C(C)C)OC(C)C

DOS

IR

Vibrations