Geometry & MOs

Info

ID:	442818
PubChem CID:	135256423
Reduced:	N2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	88.72
Dipole, Da:	3.83
IP(EA), eV:	-9.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[6-(hydroxymethyl)pyridin-2-yl]ethoxy]acetate

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)CN=[N+]=[N-]

DOS

IR

Vibrations