Geometry & MOs

Info

ID:	259701
PubChem CID:	103172284
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	15.31
Dipole, Da:	3.54
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxypyridin-2-yl)methyl]-4-methylpentan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CNCC2=CC(=CC=C2)C#N)OC

DOS

IR

Vibrations