Geometry & MOs

Info

ID:	110234
PubChem CID:	50316280
Reduced:	FN5O6C35H40 (1)
Stoich.:	AB5C6D35E40 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-251.82
Dipole, Da:	8.78
IP(EA), eV:	-8.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC5=C(C=C4)OCCO5)C)F

DOS

IR

Vibrations