Geometry & MOs

Info

ID:	144221
PubChem CID:	53333516
Reduced:	FON5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	423.101751
ΔH_f, kcal/mol:	-18.15
Dipole, Da:	2.98
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)N2C(=C(N=N2)C(=O)N3CCCN(CC3)C)C

DOS

IR

Vibrations