Geometry & MOs

Info

ID:	359813
PubChem CID:	127299857
Reduced:	BrN7C14H16 (1)
Stoich.:	AB7C14D16 (1)
Weight, g/mol:	373.06506
ΔH_f, kcal/mol:	126.64
Dipole, Da:	7.65
IP(EA), eV:	-9.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCC(CC3)N4C=C(C=N4)Br

DOS

IR

Vibrations