Geometry & MOs

Info

ID:	206419
PubChem CID:	80248115
Reduced:	SN2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	310.01393
ΔH_f, kcal/mol:	27.75
Dipole, Da:	2.63
IP(EA), eV:	-8.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-N-[(3-ethylthiophen-2-yl)methyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNCC2=C(C=CC(=C2)C)N

DOS

IR

Vibrations