Geometry & MOs

Info

ID:	121039
PubChem CID:	50753971
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	17.51
Dipole, Da:	4.27
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations