Geometry & MOs

Info

ID:	139058
PubChem CID:	52466658
Reduced:	FNO4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	327.138992
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	7.64
IP(EA), eV:	-9.53(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(4-chlorophenyl)-N-[(1R)-1-cyclopropylethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations