Geometry & MOs

Info

ID:	408535
PubChem CID:	135081301
Reduced:	NH13C16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	219.104799
ΔH_f, kcal/mol:	115.52
Dipole, Da:	2.11
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15S,17R)-16-azapentacyclo[6.6.3.02,7.09,14.015,17]heptadeca-2,4,6,9,11,13-hexaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3C(C4C3N4)C5=CC=CC=C52

DOS

IR

Vibrations