Geometry & MOs

Info

ID:	378735
PubChem CID:	134224831
Reduced:	NH9C14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	432.162649
ΔH_f, kcal/mol:	126.51
Dipole, Da:	2.36
IP(EA), eV:	-7.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1,3(15),4,6,8,10,12,16,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)NC6=C5C=CC7=CC=CC=C76

DOS

IR

Vibrations