Geometry & MOs

Info

ID:	14106
PubChem CID:	404598
Reduced:	N2O3H8C10 (2)
Stoich.:	A2B3C8D10 (2)
Weight, g/mol:	408.106984
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	6.75
IP(EA), eV:	-9.28(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-4,6-dimethyl-15-phenyl-4,6,8,15-tetrazatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),10-diene-3,5,12,14,16-pentone

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)C34C(C(=O)C=CC3(N2)O)C(=O)N(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations