Geometry & MOs

Info

ID:	121038
PubChem CID:	50753970
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	25.13
Dipole, Da:	4.45
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-(2-oxo-11-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=C(CCC3)C(=O)N4C2=NC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations