Geometry & MOs

Info

ID:	309738
PubChem CID:	126556816
Reduced:	FO2N7C36H38 (1)
Stoich.:	AB2C7D36E38 (1)
Weight, g/mol:	226.01056
ΔH_f, kcal/mol:	55.6
Dipole, Da:	8.5
IP(EA), eV:	-8.52(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-but-1-en-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCN2CCCC2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)OCCN(C)C)/NN4

DOS

IR

Vibrations