Geometry & MOs

Info

ID:	353209
PubChem CID:	127284389
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	-61.11
Dipole, Da:	4.71
IP(EA), eV:	-9.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations