Geometry & MOs

Info

ID:	394416
PubChem CID:	135022930
Reduced:	N2H4C5 (3)
Stoich.:	A2B4C5 (3)
Weight, g/mol:	372.09362
ΔH_f, kcal/mol:	158.93
Dipole, Da:	5.49
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,8R)-8-(2-bromo-3-hydroxy-3-methylbutyl)-2,8-dimethyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)C3=CC=CC=C3N4C=NN=N4

DOS

IR

Vibrations