Geometry & MOs

Info

ID:	174008
PubChem CID:	75712435
Reduced:	ClN2O2C26H35 (1)
Stoich.:	AB2C2D26E35 (1)
Weight, g/mol:	454.263171
ΔH_f, kcal/mol:	-85.46
Dipole, Da:	3.96
IP(EA), eV:	-9.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=CC=C1C)C(=O)NCCCC)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations