Geometry & MOs

Info

ID:	120584
PubChem CID:	50735845
Reduced:	N5O5C32H43 (1)
Stoich.:	A5B5C32D43 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-197.89
Dipole, Da:	8.76
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,4-dimethylanilino)-3-oxopropyl]-1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations