Geometry & MOs

Info

ID:	359893
PubChem CID:	127299937
Reduced:	BrON6C16H19 (1)
Stoich.:	ABC6D16E19 (1)
Weight, g/mol:	394.11167
ΔH_f, kcal/mol:	66.73
Dipole, Da:	3.79
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=C(C=N2)Br)CCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations