Geometry & MOs

Info

ID:	259770
PubChem CID:	103173995
Reduced:	BrO2N3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	258.113506
ΔH_f, kcal/mol:	-40.5
Dipole, Da:	3.84
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3,4-dimethoxypyridin-2-yl)methyl]butan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2CCN(CC2)CCBr)OC

DOS

IR

Vibrations