Geometry & MOs

Info

ID:	41280
PubChem CID:	8145597
Reduced:	FSN5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	398.199915
ΔH_f, kcal/mol:	51.89
Dipole, Da:	5.57
IP(EA), eV:	-8.26(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)F)C4CC4

DOS

IR

Vibrations