Geometry & MOs

Info

ID:	377132
PubChem CID:	134223170
Reduced:	NC6H12 (2)
Stoich.:	AB6C12 (2)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-33.01
Dipole, Da:	1.11
IP(EA), eV:	-8.52(2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine

Drug info:

PubChemData

Smile

CC(C)(C)N1CC2CCNCCC2C1

DOS

IR

Vibrations