Geometry & MOs

Info

ID:	377028
PubChem CID:	134223063
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-29.23
Dipole, Da:	1.37
IP(EA), eV:	-8.76(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations