Geometry & MOs

Info

ID:	155440
PubChem CID:	56365484
Reduced:	N3O4C27H33 (1)
Stoich.:	A3B4C27D33 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-137.85
Dipole, Da:	4.6
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-4-(5-methylpyrazol-1-yl)-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CCN3C4=CC=CC=C4OC(C3=O)C

DOS

IR

Vibrations