Geometry & MOs

Info

ID:	226511
PubChem CID:	87457731
Reduced:	N2O5F6C20H26 (1)
Stoich.:	A2B5C6D20E26 (1)
Weight, g/mol:	382.083268
ΔH_f, kcal/mol:	-536.27
Dipole, Da:	7.36
IP(EA), eV:	-9.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-6-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyridazin-3-one

Drug info:

PubChemData

Smile

CCN(CCCCO)C(=O)N(CCCC(=O)O)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations