Geometry & MOs

Info

ID:	198226
PubChem CID:	79068498
Reduced:	SN2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	332.09218
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	3.83
IP(EA), eV:	-8.4(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-2-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine

Drug info:

PubChemData

Smile

CCC(C)(C(CCC1=CC=CS1)NCC)N2CCCC2

DOS

IR

Vibrations