Geometry & MOs

Info

ID:	376936
PubChem CID:	134222969
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	3.45
IP(EA), eV:	-9.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations