Geometry & MOs

Info

ID:	142539
PubChem CID:	53053252
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	487.221954
ΔH_f, kcal/mol:	50.19
Dipole, Da:	1.96
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-N-(3,4-dimethoxyphenyl)-2-ethyl-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=C(C(=N1)NCCC3=CC=CO3)ON=C2C4=CC=C(C=C4)C

DOS

IR

Vibrations