Geometry & MOs

Info

ID:	377073
PubChem CID:	134223111
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	2.16
IP(EA), eV:	-9.48(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-6-chloro-1-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations