Geometry & MOs

Info

ID:	200418
PubChem CID:	79385993
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-10.18
Dipole, Da:	5.28
IP(EA), eV:	-8.15(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCNC2=CC=C(C=C2)N

DOS

IR

Vibrations