Geometry & MOs

Info

ID:	114691
PubChem CID:	50492902
Reduced:	F2O4N5C30H31 (1)
Stoich.:	A2B4C5D30E31 (1)
Weight, g/mol:	544.26857
ΔH_f, kcal/mol:	-201.29
Dipole, Da:	5.32
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations