Geometry & MOs

Info

ID:	16356
PubChem CID:	465288
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	9.1
Dipole, Da:	2.89
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-phenyl-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

Drug info:

PubChemData

Smile

CCCN1CC(N2C3=C(C1)C=CC=C3NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations