Geometry & MOs

Info

ID:	376947
PubChem CID:	134222981
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	3.71
IP(EA), eV:	-8.73(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-5-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2=C(CO1)C=CC(=C2C)OC)N

DOS

IR

Vibrations