Geometry & MOs

Info

ID:	110527
PubChem CID:	50328705
Reduced:	Cl2O3N4C25H30 (1)
Stoich.:	A2B3C4D25E30 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-112.89
Dipole, Da:	4.21
IP(EA), eV:	-9.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)Cl)C(=O)N(C)C

DOS

IR

Vibrations