Geometry & MOs

Info

ID:	173616
PubChem CID:	75663202
Reduced:	OSN5C26H45 (1)
Stoich.:	ABC5D26E45 (1)
Weight, g/mol:	249.171536
ΔH_f, kcal/mol:	-51.77
Dipole, Da:	4.7
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[4-[(4-methyl-6-oxo-1,3-diazinan-2-yl)amino]phenyl]azanium

Drug info:

PubChemData

Smile

CC1CCC(CC1)CN(C)CN2C(=S)N3C4CCCCC4C(=O)N(C3N2)C5CCCCC5C

DOS

IR

Vibrations