Geometry & MOs

Info

ID:	396712
PubChem CID:	135029062
Reduced:	NC21H21 (1)
Stoich.:	AB21C21 (1)
Weight, g/mol:	282.128275
ΔH_f, kcal/mol:	67.42
Dipole, Da:	2.5
IP(EA), eV:	-9.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC2[C@@H](CC1C3=CC=CC=C3)C(=CC=N2)C4=CC=CC=C4

DOS

IR

Vibrations