Geometry & MOs

Info

ID:	377088
PubChem CID:	134223126
Reduced:	NC20H29 (1)
Stoich.:	AB20C29 (1)
Weight, g/mol:	195.105942
ΔH_f, kcal/mol:	41.08
Dipole, Da:	2.66
IP(EA), eV:	-8.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-ethyl-6-fluoro-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CCCC1=CCCC=C1C(=C)NCCC(=C)/C(=C/C=C)/C

DOS

IR

Vibrations