Geometry & MOs

Info

ID:	178425
PubChem CID:	76328570
Reduced:	BrNH5C8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	379.251129
ΔH_f, kcal/mol:	83.2
Dipole, Da:	0.01
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2R,10R,12S,13R,17S)-7,12,13,17-tetramethyl-3-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-4(9),5,7,16(20)-tetraene-17-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C=C(N2)C3=CC4=C(N3)C=CC(=C4)Br

DOS

IR

Vibrations