Geometry & MOs

Info

ID:

166387

PubChem CID:

74681527

Reduced:

NO2C11H16 (1)

Stoich.:

AB2C11D16 (1)

Weight, g/mol:

361.169822

ΔHf, kcal/mol:

-36.84

Dipole, Da:

4.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.079763

Charge, e:

 1

Chem-info

IUPAC name:

3-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]propyl-diethylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2COCC[NH2+]2

DOS

IR

Vibrations