Geometry & MOs

Info

ID:	351593
PubChem CID:	127280485
Reduced:	O4N5C19H25 (1)
Stoich.:	A4B5C19D25 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	1.87
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propyl]-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations