Geometry & MOs

Info

ID:	205987
PubChem CID:	80186346
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	252.127406
ΔH_f, kcal/mol:	-39.32
Dipole, Da:	0.84
IP(EA), eV:	-9.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-8-methoxy-3a-methyl-1,3,4,5,10,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine

Drug info:

PubChemData

Smile

CCCN1C2COCC2CNC3=C1N=CN=C3OC

DOS

IR

Vibrations