Geometry & MOs

Info

ID:	252203
PubChem CID:	103109778
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	304.06088
ΔH_f, kcal/mol:	-12.03
Dipole, Da:	3.39
IP(EA), eV:	-8.55(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations