Geometry & MOs

Info

ID:	168145
PubChem CID:	74929481
Reduced:	SN3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	455.186336
ΔH_f, kcal/mol:	88.87
Dipole, Da:	1.18
IP(EA), eV:	-8.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-(2-cyclopentyloxy-3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)C3=C(CCC2)SC(=N3)N=CC4=CC=CC=N4

DOS

IR

Vibrations