Geometry & MOs

Info

ID:	25887
PubChem CID:	632647
Reduced:	SiO2C24H34 (1)
Stoich.:	AB2C24D34 (1)
Weight, g/mol:	367.103142
ΔH_f, kcal/mol:	-96.93
Dipole, Da:	2.65
IP(EA), eV:	-8.47(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-[7-hydroxy-4-(4-hydroxyphenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O[Si](C)(C)C)CCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations