Geometry & MOs

Info

ID:	144209
PubChem CID:	53332607
Reduced:	BrON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	485.24269
ΔH_f, kcal/mol:	63.41
Dipole, Da:	5.36
IP(EA), eV:	-9.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-5-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)NCC3=CC=C(C=C3)Br

DOS

IR

Vibrations