Geometry & MOs

Info

ID:	81744
PubChem CID:	49855081
Reduced:	N4O5C18H18 (1)
Stoich.:	A4B5C18D18 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	9.24
IP(EA), eV:	-8.5(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-imino-11-methyl-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-4,9,11,13-tetraene-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C\2=CNN/C2=C\3/C=CC(=CC3=O)OCC(=O)NN)O

DOS

IR

Vibrations