Geometry & MOs

Info

ID:	325280
PubChem CID:	126682468
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	471.238273
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	6.86
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(6-amino-5-pyrimidin-2-ylpyridin-3-yl)piperidin-1-yl]-4-oxobutyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CC1=CC=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=CN=CN4C

DOS

IR

Vibrations