Geometry & MOs

Info

ID:	377036
PubChem CID:	134223071
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	2.28
IP(EA), eV:	-8.99(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-prop-2-ynyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CCCN[C@H]1[C@@H](OCC2=CC=CC=C12)C

DOS

IR

Vibrations