Geometry & MOs

Info

ID:	435250
PubChem CID:	135186175
Reduced:	O3C13H14 (2)
Stoich.:	A3B13C14 (2)
Weight, g/mol:	312.118653
ΔH_f, kcal/mol:	-193.06
Dipole, Da:	3.06
IP(EA), eV:	-9.32(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)benzimidazole

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O)O)O

DOS

IR

Vibrations