Geometry & MOs

Info

ID:	27342
PubChem CID:	820777
Reduced:	NSC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	30.69
Dipole, Da:	5.4
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(propan-2-ylamino)chromen-2-one

Drug info:

PubChemData

Smile

CC(=S)NC1=CC=CC=C1

DOS

IR

Vibrations