Geometry & MOs

Info

ID:	159680
PubChem CID:	57288619
Reduced:	SN7O12H27C28 (1)
Stoich.:	AB7C12D27E28 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-157.32
Dipole, Da:	3.84
IP(EA), eV:	-9.51(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])ON=C(C2=CSC(=N2)N)C(=O)N[C@H]3CN(C3=O)OCC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations