Geometry & MOs

Info

ID:	155554
PubChem CID:	56365890
Reduced:	N2O4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	478.213554
ΔH_f, kcal/mol:	-137.71
Dipole, Da:	2.54
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)N(CCC)C2CCN(CC2)C(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations