Geometry & MOs

Info

ID:	376934
PubChem CID:	134222967
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	231.021769
ΔH_f, kcal/mol:	-39.09
Dipole, Da:	1.39
IP(EA), eV:	-9.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-5,6-dichloro-3-methyl-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