Geometry & MOs

Info

ID:	176530
PubChem CID:	76062990
Reduced:	NSO4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	5.25
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-[4-(4-nitrophenyl)-2-oxopiperidin-3-yl]chromene-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C(=O)O)(NC(=O)OCC1=CC=CC=C1)SC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations