Geometry & MOs

Info

ID:	46551
PubChem CID:	10525148
Reduced:	N6H18C25 (1)
Stoich.:	A6B18C25 (1)
Weight, g/mol:	402.204239
ΔH_f, kcal/mol:	171.67
Dipole, Da:	2.94
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[(1R,5R)-5-methoxy-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]propyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C3=NC(=C(C=C23)C4=NC5=CC=CC=C5N4)N)C6=CC=CC=C6

DOS

IR

Vibrations