Geometry & MOs

Info

ID:	199533
PubChem CID:	79263279
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	312.129692
ΔH_f, kcal/mol:	-106.26
Dipole, Da:	2.28
IP(EA), eV:	-9.12(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)N(CC=C)CC(=O)O

DOS

IR

Vibrations