Geometry & MOs

Info

ID:	168871
PubChem CID:	75031062
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	431.09569
ΔH_f, kcal/mol:	-22.42
Dipole, Da:	8.63
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-4-hydroxyphenyl)methyl]-8-ethyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-3,9-dien-7-one

Drug info:

PubChemData

Smile

C#CCN(CC1CCC2=NC(=NC(=O)C2C1)N)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations