Geometry & MOs

Info

ID:	244026
PubChem CID:	99309416
Reduced:	ClN3O4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-118.95
Dipole, Da:	6.05
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)CCC3=NC=C(O3)C4=CC=CC=C4Cl

DOS

IR

Vibrations