Geometry & MOs

Info

ID:	110897
PubChem CID:	50343692
Reduced:	O3N4C29H38 (1)
Stoich.:	A3B4C29D38 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-122.82
Dipole, Da:	6.06
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4

DOS

IR

Vibrations