Geometry & MOs

Info

ID:	215956
PubChem CID:	85085496
Reduced:	NO4C9H17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	-196.4
Dipole, Da:	2.93
IP(EA), eV:	-9.35(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,4-b]furan-4-one

Drug info:

PubChemData

Smile

CC1(OC2C(CNCC(C2O1)O)O)C

DOS

IR

Vibrations