Geometry & MOs

Info

ID:	377072
PubChem CID:	134223110
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	2.67
IP(EA), eV:	-9.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-6-chloro-1-methyl-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