Geometry & MOs

Info

ID:	310212
PubChem CID:	126576810
Reduced:	O2N3C33H39 (1)
Stoich.:	A2B3C33D39 (1)
Weight, g/mol:	209.21435
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	2.7
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-ditert-butyl-2-azabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC1=C2C3CCC(C3)C2=C(C=C1)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6C[C@@H]7CCC[C@@H]7N6C(=O)OC(C)(C)C

DOS

IR

Vibrations