Geometry & MOs

Info

ID:	377006
PubChem CID:	134223041
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-26.37
Dipole, Da:	2.5
IP(EA), eV:	-8.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CC=C2C(CO1)NC

DOS

IR

Vibrations