Geometry & MOs

Info

ID:	297559
PubChem CID:	117621697
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	496.247441
ΔH_f, kcal/mol:	-137.35
Dipole, Da:	5.37
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1'-methyl-2'-(methylamino)-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl]-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)[C@H]4C[C@H]([C@H]([C@H](O4)CO)O)O

DOS

IR

Vibrations