Geometry & MOs

Info

ID:	50480
PubChem CID:	12013021
Reduced:	NO9H69C71 (1)
Stoich.:	AB9C69D71 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	-191.02
Dipole, Da:	6.04
IP(EA), eV:	-8.99(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-azabicyclo[2.2.0]hex-5-en-3-one

Drug info:

Smile

CC(C)CN1C=CC=CC1=O.C1CC2(CCC13O[C@H]([C@@H](O3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C(C6=CC=CC=C6)(C7=CC=CC=C7)O)O[C@H]([C@@H](O2)C(C8=CC=CC=C8)(C9=CC=CC=C9)O)C(C1=CC=CC=C1)(C1=CC=CC=C1)O

DOS

IR

Vibrations