Geometry & MOs

Info

ID:	376994
PubChem CID:	134223029
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	1.78
IP(EA), eV:	-9.28(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations