Geometry & MOs

Info

ID:	41309
PubChem CID:	8145640
Reduced:	FOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	15.27
Dipole, Da:	4.87
IP(EA), eV:	-8.72(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=S)O2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations