Geometry & MOs

Info

ID:	303464
PubChem CID:	124489766
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	4.17
IP(EA), eV:	-8.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R)-4-hydroxy-1-piperidin-1-ylcyclohexa-2,4-diene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC)NC[C@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O

DOS

IR

Vibrations