Geometry & MOs

Info

ID:	184153
PubChem CID:	77119542
Reduced:	N2F3O3H21C25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	300.132136
ΔH_f, kcal/mol:	-230.97
Dipole, Da:	5.23
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[carboxymethyl(propan-2-yl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1C(=O)NC2=CC(=CC=C2)OC(F)(F)F)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations