Geometry & MOs

Info

ID:	284052
PubChem CID:	104030308
Reduced:	BrOSN3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	268.05751
ΔH_f, kcal/mol:	39.2
Dipole, Da:	4.87
IP(EA), eV:	-8.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-ethyl-3-methyl-N-(2-methylprop-2-enyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC3=NC=C(C=C3C)Br

DOS

IR

Vibrations