Geometry & MOs

Info

ID:	378516
PubChem CID:	134224603
Reduced:	FNOC9H16 (1)
Stoich.:	ABCD9E16 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	2.12
IP(EA), eV:	-8.97(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methoxy-N-methyl-3-(5-methyl-1,3-dioxol-4-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C/C=C(\C(=C)[C@@H](CNC)OC)/F

DOS

IR

Vibrations