Geometry & MOs

Info

ID:	220703
PubChem CID:	85230545
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	1.06
IP(EA), eV:	-8.55(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,7-trimethyl-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]azepine-5,8-dione

Drug info:

PubChemData

Smile

COC=CCCCC1=CC=C(C=C1)OC

DOS

IR

Vibrations