Geometry & MOs

Info

ID:	359897
PubChem CID:	127299941
Reduced:	BrN7C13H18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	396.15247
ΔH_f, kcal/mol:	134.96
Dipole, Da:	4.5
IP(EA), eV:	-9.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)CN3CCC(CC3)N4C=C(C=N4)Br

DOS

IR

Vibrations