Geometry & MOs

Info

ID:	377049
PubChem CID:	134223085
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	3.14
IP(EA), eV:	-9.17(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-8-chloro-3,5-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(CO[C@@H]([C@H]2N)C)C=C1

DOS

IR

Vibrations