Geometry & MOs

Info

ID:	202783
PubChem CID:	79725346
Reduced:	NOF2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	251.079373
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	1.74
IP(EA), eV:	-8.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-4-methoxybenzoyl)azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(C2=C(C=C(C(=C2)C)F)F)N

DOS

IR

Vibrations