Geometry & MOs

Info

ID:	153717
PubChem CID:	56313020
Reduced:	FN2O6C21H25 (1)
Stoich.:	AB2C6D21E25 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-174.09
Dipole, Da:	4.68
IP(EA), eV:	-9.31(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[4-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCCOC)OC)C2=CC=CC=C2F

DOS

IR

Vibrations