Geometry & MOs

Info

ID:	397284
PubChem CID:	135029996
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	246.086764
ΔH_f, kcal/mol:	31.01
Dipole, Da:	3.75
IP(EA), eV:	-8.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C3=C2OCCN3)C4=CC=CC=C4

DOS

IR

Vibrations