Geometry & MOs

Info

ID:	30954
PubChem CID:	853911
Reduced:	SN2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	298.100523
ΔH_f, kcal/mol:	14.06
Dipole, Da:	5.91
IP(EA), eV:	-8.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-3-(4-fluorophenyl)-7-methoxychromen-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=S)N

DOS

IR

Vibrations