Geometry & MOs

Info

ID:	185268
PubChem CID:	77279296
Reduced:	OF2N3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	404.226392
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	3.72
IP(EA), eV:	-8.68(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(ethylamino)-2-fluoro-5-methylphenyl]ethyl]-6-(1-methylcyclopropyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)F)C(C)NC(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCC(CC4)(C)F

DOS

IR

Vibrations