Geometry & MOs

Info

ID:	376968
PubChem CID:	134223003
Reduced:	NOCl2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	2.9
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N,5-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CN[C@@H]1COCC2=C1C(=C(C=C2)Cl)Cl

DOS

IR

Vibrations