Geometry & MOs

Info

ID:	386751
PubChem CID:	134982800
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	51.67
Dipole, Da:	4.25
IP(EA), eV:	-9.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN[C@H](/C=C/C=C/C=O)C2=CC=CC=C2

DOS

IR

Vibrations