Geometry & MOs

Info

ID:	178173
PubChem CID:	76289946
Reduced:	O4N5H19C22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	3.42
IP(EA), eV:	-8.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1,3-diazinan-5-yl)-N-(4-phenylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)N1)CCC(=O)NC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3C#N

DOS

IR

Vibrations