Geometry & MOs

Info

ID:	107725
PubChem CID:	50216475
Reduced:	ClO5N6C34H47 (1)
Stoich.:	AB5C6D34E47 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-239.71
Dipole, Da:	8.98
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations