Geometry & MOs

Info

ID:	67848
PubChem CID:	46507291
Reduced:	BrON5H24C25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	491.09569
ΔH_f, kcal/mol:	95.76
Dipole, Da:	5.51
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC=CN4C3=C(C(=N4)C5=CC=C(C=C5)Br)C=O)C

DOS

IR

Vibrations