Geometry & MOs

Info

ID:	288236
PubChem CID:	104313897
Reduced:	BrN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	305.05276
ΔH_f, kcal/mol:	-13.58
Dipole, Da:	1.99
IP(EA), eV:	-8.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromopyridin-2-yl)-(4-methylpyridin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC2=C(C=C1)OCCO2)C3=C(C=CC=N3)Br

DOS

IR

Vibrations