Geometry & MOs

Info

ID:	377061
PubChem CID:	134223097
Reduced:	ClNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-48.16
Dipole, Da:	2.96
IP(EA), eV:	-9.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-methyl-1,2,4,8,9,10-hexahydropyrano[4,3-f]chromen-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C2=C(C=CC(=C2CO1)Cl)C)N

DOS

IR

Vibrations