Geometry & MOs

Info

ID:	299777
PubChem CID:	117689355
Reduced:	ON2H12C17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	47.83
Dipole, Da:	6.44
IP(EA), eV:	-8.95(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-benzimidazol-4-yl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-1-benzofuran-2-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC2=C3C=CN=CC3=C4C=NC=CC4=C2C=C1

DOS

IR

Vibrations