Geometry & MOs

Info

ID:	50484
PubChem CID:	12013025
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	185.084064
ΔH_f, kcal/mol:	8.8
Dipole, Da:	3.64
IP(EA), eV:	-9.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C2C=CC2C1=O

DOS

IR

Vibrations