Geometry & MOs

Info

ID:	41289
PubChem CID:	8145608
Reduced:	FSN5C23H26 (1)
Stoich.:	ABC5D23E26 (1)
Weight, g/mol:	424.260017
ΔH_f, kcal/mol:	73.77
Dipole, Da:	5.34
IP(EA), eV:	-8.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1CC1C2=NN(C(=S)N2CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations