Geometry & MOs

Info

ID:	178210
PubChem CID:	76295039
Reduced:	SN3O3C23H33 (1)
Stoich.:	AB3C3D23E33 (1)
Weight, g/mol:	426.182254
ΔH_f, kcal/mol:	-142.81
Dipole, Da:	3.54
IP(EA), eV:	-8.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC2CCN(CC2)C(=O)CCCCC3C4C(CS3)NC(=O)N4

DOS

IR

Vibrations