Geometry & MOs

Info

ID:	444639
PubChem CID:	135263111
Reduced:	SN2O6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-148.61
Dipole, Da:	6.93
IP(EA), eV:	-8.57(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylbenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=COC(=C2C)CNC(=O)C3(CC3)C4=CC5=C(C=C4)NS(=O)(=O)CO5)OC

DOS

IR

Vibrations