Geometry & MOs

Info

ID:	48828
PubChem CID:	11528373
Reduced:	N3C8H13 (1)
Stoich.:	A3B8C13 (1)
Weight, g/mol:	152.08373
ΔH_f, kcal/mol:	24.31
Dipole, Da:	3.67
IP(EA), eV:	-9.06(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aS,8aS)-5,5a,6,7,8,8a-hexahydrocyclopenta[c]oxepin-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=NC=CN2

DOS

IR

Vibrations