Geometry & MOs

Info

ID:	377071
PubChem CID:	134223109
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	2.75
IP(EA), eV:	-9.18(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations