Geometry & MOs

Info

ID:	379650
PubChem CID:	134453993
Reduced:	OPN3H38C62 (1)
Stoich.:	ABC3D38E62 (1)
Weight, g/mol:	374.169351
ΔH_f, kcal/mol:	223.95
Dipole, Da:	2.96
IP(EA), eV:	-8.58(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxy-4,6-difluoro-7-[2-(oxolan-2-yl)ethyl]dibenzofuran

Drug info:

Smile

C1=CC=C(C=C1)P(=O)(C2=CC3=C(C=C2)C4=CC=CC=C4C=C3)C5=NC=C(C=C5)C6=CC7=C(C=C6)N8C9=C(C=CC(=C9)C1=CC2=CC=CC=C2C2=CC=CC=C21)N=C8C1=C7C2=CC=CC=C2C=C1

DOS

IR

Vibrations