Geometry & MOs

Info

ID:	306053
PubChem CID:	125001071
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	6.07
IP(EA), eV:	-8.67(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C(=O)N2CCO[C@@H](C2)C3=NC=CN=C3NC

DOS

IR

Vibrations