Geometry & MOs

Info

ID:	376995
PubChem CID:	134223030
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	2.62
IP(EA), eV:	-9.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](C2=CC=CC=C2CO1)N

DOS

IR

Vibrations