Geometry & MOs

Info

ID:	396446
PubChem CID:	135028426
Reduced:	O2N3H21C27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	42.83
Dipole, Da:	8.35
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R,13R)-10-bromo-6,11-dimethyl-3-azatricyclo[6.3.2.04,13]trideca-8,10-diene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(NC(=C2C(=O)C3=CNC4=CC=CC=C43)N)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations