Geometry & MOs

Info

ID:	258263
PubChem CID:	103152402
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	243.140533
ΔH_f, kcal/mol:	-175.92
Dipole, Da:	2.35
IP(EA), eV:	-8.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations