Geometry & MOs

Info

ID:	259710
PubChem CID:	103172632
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-19.67
Dipole, Da:	4.59
IP(EA), eV:	-8.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxypyridin-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Br)NCC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations