Geometry & MOs

Info

ID:	59670
PubChem CID:	24892894
Reduced:	BrO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	376.223631
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	1.74
IP(EA), eV:	-9.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-2-(3,4-dimethoxyphenyl)ethyl-(2,6-dioxo-5,5-dipropyl-1,3-diazinan-4-ylidene)azanium

Drug info:

PubChemData

Smile

C1[C@H]2C3C4[C@@H]1C5C2[C@@](C4C5(C6=CC=CC=C6)O)(C3Br)O

DOS

IR

Vibrations