Geometry & MOs

Info

ID:	155624
PubChem CID:	56366385
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	450.182254
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	7.41
IP(EA), eV:	-9.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(4-chlorophenyl)-2-phenylpyrazole-3-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations