Geometry & MOs

Info

ID:	347589
PubChem CID:	127272444
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	6.18
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations