Geometry & MOs

Info

ID:	425644
PubChem CID:	135127116
Reduced:	FN3O6C17H18 (1)
Stoich.:	AB3C6D17E18 (1)
Weight, g/mol:	188.058578
ΔH_f, kcal/mol:	-223.53
Dipole, Da:	4.14
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyanophenyl)-2-iminopropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(C(=O)O)NN[C@@H](CN2C=CC(=O)C(=C2)O)C(=O)O

DOS

IR

Vibrations