Geometry & MOs

Info

ID:	107703
PubChem CID:	50215599
Reduced:	F2O3N4C31H34 (1)
Stoich.:	A2B3C4D31E34 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-180.81
Dipole, Da:	8.62
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)C

DOS

IR

Vibrations