Geometry & MOs

Info

ID:	419325
PubChem CID:	135107981
Reduced:	ClN2O5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-183.98
Dipole, Da:	6.42
IP(EA), eV:	-9.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-3-hydroxypiperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations