Geometry & MOs

Info

ID:	444310
PubChem CID:	135262053
Reduced:	O3F4C6H8 (1)
Stoich.:	A3B4C6D8 (1)
Weight, g/mol:	265.050571
ΔH_f, kcal/mol:	-326.23
Dipole, Da:	1.7
IP(EA), eV:	-10.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-7-prop-2-ynoxychromen-4-one;hydrochloride

Drug info:

PubChemData

Smile

C(C(=C(CF)F)CF)F.C(=O)(O)O

DOS

IR

Vibrations