Geometry & MOs

Info

ID:	93826
PubChem CID:	49997029
Reduced:	O4N5C32H43 (1)
Stoich.:	A4B5C32D43 (1)
Weight, g/mol:	507.284555
ΔH_f, kcal/mol:	-176.02
Dipole, Da:	7.76
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4CCCC4

DOS

IR

Vibrations