Geometry & MOs

Info

ID:	376951
PubChem CID:	134222985
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	3.26
IP(EA), eV:	-9.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6,8-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(CO1)C=CC=C2Cl)N

DOS

IR

Vibrations