Geometry & MOs

Info

ID:	217153
PubChem CID:	85087344
Reduced:	NO9C13H23 (1)
Stoich.:	AB9C13D23 (1)
Weight, g/mol:	337.127385
ΔH_f, kcal/mol:	-358.27
Dipole, Da:	4.38
IP(EA), eV:	-10.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,2-dimethoxyethylcarbamoyl)-3-(pyridine-3-carbonylamino)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1CCCC(C1[N+](=O)[O-])C(C(C(C(CO)O)O)O)O

DOS

IR

Vibrations