Geometry & MOs

Info

ID:	70604
PubChem CID:	48413583
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	399.232205
ΔH_f, kcal/mol:	-123.42
Dipole, Da:	3.06
IP(EA), eV:	-8.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-3-[(4-fluorobenzoyl)amino]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=COC=C1

DOS

IR

Vibrations