Geometry & MOs

Info

ID:	396356
PubChem CID:	135028194
Reduced:	NO6C24H27 (1)
Stoich.:	AB6C24D27 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-190.42
Dipole, Da:	4.59
IP(EA), eV:	-8.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,2R)-4,4-dimethyl-3,5-dioxa-8,11-diazatricyclo[5.3.1.02,6]undec-8-ene-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(C2=C(C=CC(=C2)O)N(C1=O)CCC3=CC(=C(C=C3)OC)OC)CC=C

DOS

IR

Vibrations