Geometry & MOs

Info

ID:	191729
PubChem CID:	78182558
Reduced:	ON3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	67.38
Dipole, Da:	1.66
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadecan-12-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=C4C3C(=O)NN=C4

DOS

IR

Vibrations