Geometry & MOs

Info

ID:	3068
PubChem CID:	9112
Reduced:	NH15C27 (1)
Stoich.:	AB15C27 (1)
Weight, g/mol:	353.120449
ΔH_f, kcal/mol:	264.89
Dipole, Da:	4.06
IP(EA), eV:	-8.0(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azaheptacyclo[18.6.2.02,15.04,13.05,10.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=CC4=C(C5=C6C(=C4)C=CC7=C6C(=CC=C7)C=C5)N=C32

DOS

IR

Vibrations