Geometry & MOs

Info

ID:	377070
PubChem CID:	134223108
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-35.31
Dipole, Da:	2.81
IP(EA), eV:	-9.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations