Geometry & MOs

Info

ID:	126600
PubChem CID:	50969524
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	30.8
Dipole, Da:	2.71
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCC2=CN=C(C=C2C)C)C

DOS

IR

Vibrations