Geometry & MOs

Info

ID:	258280
PubChem CID:	103152526
Reduced:	OSN3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	229.124883
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	1.73
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-[2-(1,3-thiazol-2-yl)ethyl]butane-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CCNCCC(CN)OC

DOS

IR

Vibrations