Geometry & MOs

Info

ID:	40066
PubChem CID:	8143514
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	406.052535
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	2.76
IP(EA), eV:	-9.15(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CN2CCCC2)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations