Geometry & MOs

Info

ID:	155623
PubChem CID:	56366381
Reduced:	F2N3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	-229.5
Dipole, Da:	7.73
IP(EA), eV:	-9.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)CCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations