Geometry & MOs

Info

ID:	110521
PubChem CID:	50328613
Reduced:	ClO3N4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	7.75
IP(EA), eV:	-8.94(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations