Geometry & MOs

Info

ID:	258255
PubChem CID:	103152330
Reduced:	NOC6H11 (2)
Stoich.:	ABC6D11 (2)
Weight, g/mol:	229.124883
ΔH_f, kcal/mol:	-71.5
Dipole, Da:	0.73
IP(EA), eV:	-8.99(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine

Drug info:

PubChemData

Smile

CC(CC1=CC=CO1)NCCC(CN)OC

DOS

IR

Vibrations