Geometry & MOs

Info

ID:	370586
PubChem CID:	127339724
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	5.53
Dipole, Da:	3.41
IP(EA), eV:	-9.15(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)N2CCC(CC2)C3=CN(N=C3)C)C

DOS

IR

Vibrations