Geometry & MOs

Info

ID:	13859
PubChem CID:	399411
Reduced:	NH13C17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	231.104799
ΔH_f, kcal/mol:	97.68
Dipole, Da:	2.08
IP(EA), eV:	-7.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2

DOS

IR

Vibrations