Geometry & MOs

Info

ID:	378595
PubChem CID:	134224687
Reduced:	O2N3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	20.16
Dipole, Da:	5.43
IP(EA), eV:	-7.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[(1S)-1-[(9S)-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-9-yl]ethyl]-N,8-dimethyl-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-5-amine

Drug info:

PubChemData

Smile

C1=COC(=C1)CC2=NC3=CNC=CN3C2=O

DOS

IR

Vibrations