Geometry & MOs

Info

ID:	376971
PubChem CID:	134223006
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	3.39
IP(EA), eV:	-8.85(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5,6-dimethyl-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