Geometry & MOs

Info

ID:	174013
PubChem CID:	75712616
Reduced:	FO2N3C27H38 (1)
Stoich.:	AB2C3D27E38 (1)
Weight, g/mol:	481.310456
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	2.8
IP(EA), eV:	-8.24(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)N(C)C)C(=O)NC(C)(C)C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations