Geometry & MOs

Info

ID:	50558
PubChem CID:	12013105
Reduced:	N3O4H31C40 (1)
Stoich.:	A3B4C31D40 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	10.15
IP(EA), eV:	-8.61(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyldibenzofuran

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC[C@@H](C3=CC=CC=C3)NC4=C5C=CC=C6C5=C(C=C4)C(=O)N7C6=NC8=CC=CC=C87

DOS

IR

Vibrations