Geometry & MOs

Info

ID:	174014
PubChem CID:	75712617
Reduced:	FO2N3C29H40 (1)
Stoich.:	AB2C3D29E40 (1)
Weight, g/mol:	511.357406
ΔH_f, kcal/mol:	-125.54
Dipole, Da:	0.72
IP(EA), eV:	-8.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(dimethylamino)phenyl]-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)N(C)C)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations