Geometry & MOs

Info

ID:	327678
PubChem CID:	126690709
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	3.96
IP(EA), eV:	-9.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-amino-5-(morpholin-4-ylmethoxymethyl)pyridin-3-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)Br)C(=O)N(C)CCC=C

DOS

IR

Vibrations