Geometry & MOs

Info

ID:	174588
PubChem CID:	75789142
Reduced:	OSN7C18H29 (1)
Stoich.:	ABC7D18E29 (1)
Weight, g/mol:	255.115381
ΔH_f, kcal/mol:	15.06
Dipole, Da:	12.44
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC(C)C1NC(CC(=O)N1)CSC2=NN=C(N2CC)C3=NN(C(=C3)C)C

DOS

IR

Vibrations