Geometry & MOs

Info

ID:	376965
PubChem CID:	134223000
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-29.63
Dipole, Da:	3.25
IP(EA), eV:	-9.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-methoxy-N-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CN[C@H]1COCC2=C1C=CC=C2Cl

DOS

IR

Vibrations