Geometry & MOs

Info

ID:	377131
PubChem CID:	134223169
Reduced:	N2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	-30.5
Dipole, Da:	3.41
IP(EA), eV:	-8.72(2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC1CC2CNCC2C1

DOS

IR

Vibrations