Geometry & MOs

Info

ID:	175165
PubChem CID:	75863003
Reduced:	SO2N5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.845276
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-methyl-2-pyridin-2-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C[N+]1=C(NC=C1)CN(C2CC2)C(=O)CCCCC3C4C(CS3)NC(=O)N4

DOS

IR

Vibrations