Geometry & MOs

Info

ID:	217936
PubChem CID:	85088619
Reduced:	BrN2O3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	413.227498
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	8.09
IP(EA), eV:	-9.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=C(C#N)C1C2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Br)O

DOS

IR

Vibrations