Geometry & MOs

Info

ID:	244054
PubChem CID:	99309533
Reduced:	ClN3O4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-154.11
Dipole, Da:	2.69
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations