Geometry & MOs

Info

ID:	170344
PubChem CID:	75219326
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	381.96022
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	5.35
IP(EA), eV:	-8.42(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dibromo-3-butyl-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-one

Drug info:

PubChemData

Smile

CC(C)(C=C)N1C=C(C2=CC=CC=C21)CC3C(=O)NC(C(=O)N3)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations