Geometry & MOs

Info

ID:	109594
PubChem CID:	50290236
Reduced:	FO4N5C33H38 (1)
Stoich.:	AB4C5D33E38 (1)
Weight, g/mol:	516.253669
ΔH_f, kcal/mol:	-182.54
Dipole, Da:	7.21
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC(C)C

DOS

IR

Vibrations