Geometry & MOs

Info

ID:	376939
PubChem CID:	134222972
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-39.2
Dipole, Da:	2.57
IP(EA), eV:	-9.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-methyl-2,4-dihydro-1H-benzo[f]isochromen-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations