Geometry & MOs

Info

ID:	110896
PubChem CID:	50343691
Reduced:	O5N6C36H52 (1)
Stoich.:	A5B6C36D52 (1)
Weight, g/mol:	490.294391
ΔH_f, kcal/mol:	-238.01
Dipole, Da:	8.49
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations