Geometry & MOs

Info

ID:	41301
PubChem CID:	8145628
Reduced:	FSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	424.260017
ΔH_f, kcal/mol:	63.65
Dipole, Da:	8.79
IP(EA), eV:	-8.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations