Geometry & MOs

Info

ID:	376987
PubChem CID:	134223022
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-14.75
Dipole, Da:	3.11
IP(EA), eV:	-9.18(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1C3=C2C4=C(COC[C@H]4N)C=C3

DOS

IR

Vibrations