Geometry & MOs

Info

ID:	103812
PubChem CID:	50073883
Reduced:	O3N4C31H36 (1)
Stoich.:	A3B4C31D36 (1)
Weight, g/mol:	512.278741
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	6.87
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations