Geometry & MOs

Info

ID:	401703
PubChem CID:	135052175
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	304.05751
ΔH_f, kcal/mol:	8.01
Dipole, Da:	5.11
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-4-aza-1-azoniatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaene;bromide

Drug info:

PubChemData

Smile

CC(C)C1(C(=NOC1=O)C2=CC=CC=C2)N=CN(C)C

DOS

IR

Vibrations