Geometry & MOs

Info

ID:	41320
PubChem CID:	8145656
Reduced:	FOSN5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	404.233802
ΔH_f, kcal/mol:	43.12
Dipole, Da:	5.99
IP(EA), eV:	-8.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations