Geometry & MOs

Info

ID:	377063
PubChem CID:	134223099
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-119.43
Dipole, Da:	3.35
IP(EA), eV:	-8.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)CCC(C=O)N1CC2=C(C1=O)C=CC(=C2)CCC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations