Geometry & MOs

Info

ID:	396748
PubChem CID:	135029142
Reduced:	NC21H21 (1)
Stoich.:	AB21C21 (1)
Weight, g/mol:	282.128275
ΔH_f, kcal/mol:	74.88
Dipole, Da:	2.13
IP(EA), eV:	-9.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC2(CCC1C3=CC=CC=C3)C(=CC=N2)C4=CC=CC=C4

DOS

IR

Vibrations