Geometry & MOs

Info

ID:	416020
PubChem CID:	135089025
Reduced:	F2O2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-121.93
Dipole, Da:	2.39
IP(EA), eV:	-8.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-4-pyrazol-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=C(C(=C(C=C2)F)OC)F

DOS

IR

Vibrations