Geometry & MOs

Info

ID:	178794
PubChem CID:	76383740
Reduced:	FNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-119.68
Dipole, Da:	3.98
IP(EA), eV:	-9.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-methyl-1-[(4-methylphenyl)methyl]-4-oxoazetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(=O)N(C1(CC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations