Geometry & MOs

Info

ID:	61212
PubChem CID:	26707139
Reduced:	ClO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	350.143056
ΔH_f, kcal/mol:	-32.58
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752239
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N,4-dimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations