Geometry & MOs

Info

ID:	376955
PubChem CID:	134222989
Reduced:	NOCl2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	-29.76
Dipole, Da:	2.29
IP(EA), eV:	-9.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](C2=C(CO1)C=CC(=C2Cl)Cl)N

DOS

IR

Vibrations