Geometry & MOs

Info

ID:	93882
PubChem CID:	49997470
Reduced:	N5O5C31H41 (1)
Stoich.:	A5B5C31D41 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-198.57
Dipole, Da:	5.46
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-3-(propylcarbamoyl)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=CC=C3C(=O)N4CCOCC4

DOS

IR

Vibrations