Geometry & MOs

Info

ID:	143340
PubChem CID:	53194596
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	443.206973
ΔH_f, kcal/mol:	-6.75
Dipole, Da:	3.45
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=NC=C4)N(C3=O)C

DOS

IR

Vibrations