Geometry & MOs

Info

ID:	377094
PubChem CID:	134223132
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	2.66
IP(EA), eV:	-9.45(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3,7-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C2=CC=CC=C2CO1)N

DOS

IR

Vibrations