Geometry & MOs

Info

ID:	377076
PubChem CID:	134223114
Reduced:	FNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	2.21
IP(EA), eV:	-9.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C2=C(C=C(C=C2)F)[C@@H](CO1)N

DOS

IR

Vibrations