Geometry & MOs

Info

ID:	106162
PubChem CID:	50151088
Reduced:	SO4N6C25H34 (1)
Stoich.:	AB4C6D25E34 (1)
Weight, g/mol:	490.294391
ΔH_f, kcal/mol:	-144.53
Dipole, Da:	4.84
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=NC=CS3

DOS

IR

Vibrations