Geometry & MOs

Info

ID:	228663
PubChem CID:	87565500
Reduced:	NO3F7H12C17 (1)
Stoich.:	AB3C7D12E17 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	-438.03
Dipole, Da:	3.18
IP(EA), eV:	-10.01(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopropyl-2,8a-dihydroquinazolin-1-yl)methyl]-N'-hydroxy-1-(3-methylbutyl)benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCC2=NC=C(C=C2)C(F)(F)F)OC(F)F)OC(F)F

DOS

IR

Vibrations