Geometry & MOs

Info

ID:	377034
PubChem CID:	134223069
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	32.5
Dipole, Da:	2.87
IP(EA), eV:	-9.06(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-methyl-N-propyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations