Geometry & MOs

Info

ID:	191893
PubChem CID:	78198454
Reduced:	FO2N4C38H53 (1)
Stoich.:	AB2C4D38E53 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	-112.46
Dipole, Da:	6.38
IP(EA), eV:	-8.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-phenylacetyl)amino]triazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)N1CC(C(C1)C2=CC(=CC=C2)F)CN3CCC(CC3)C4=CC(=NN4CC)CC5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations