Geometry & MOs

Info

ID:	321184
PubChem CID:	126665124
Reduced:	ClFON2H14C20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	398.058883
ΔH_f, kcal/mol:	20.61
Dipole, Da:	4.09
IP(EA), eV:	-8.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dichloro-4-(5-methoxy-2-benzofuran-1-yl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)Cl)N3C=CC=C3C(N1)C4=C5C=CC(=CC5=CO4)F

DOS

IR

Vibrations