Geometry & MOs

Info

ID:	376963
PubChem CID:	134222998
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	3.36
IP(EA), eV:	-8.9(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(COC[C@@H]2NC)C=C1)C

DOS

IR

Vibrations