Geometry & MOs

Info

ID:	155435
PubChem CID:	56365469
Reduced:	N2O2F3C23H31 (1)
Stoich.:	A2B2C3D23E31 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-263.77
Dipole, Da:	7.55
IP(EA), eV:	-9.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-4-(4-methylpyrazol-1-yl)-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations