Geometry & MOs

Info

ID:	290017
PubChem CID:	104397671
Reduced:	OSN2C15H26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	262.090662
ΔH_f, kcal/mol:	-36.86
Dipole, Da:	1.93
IP(EA), eV:	-8.8(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CNCCOC)NCC1CCCC2=C1C=CS2

DOS

IR

Vibrations