Geometry & MOs

Info

ID:	347592
PubChem CID:	127272447
Reduced:	OSN4C12H20 (1)
Stoich.:	ABC4D12E20 (1)
Weight, g/mol:	367.204196
ΔH_f, kcal/mol:	-20.86
Dipole, Da:	2.66
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CCCN(CC2)C)C

DOS

IR

Vibrations