Geometry & MOs

Info

ID:	319273
PubChem CID:	126655507
Reduced:	FO4N7C30H32 (1)
Stoich.:	AB4C7D30E32 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	5.65
IP(EA), eV:	-8.76(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one

Drug info:

PubChemData

Smile

CCNC(=O)C1CCCN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)N(C4)C(=O)OC(C)(C)C)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations