Geometry & MOs

Info

ID:	343856
PubChem CID:	127267032
Reduced:	O4N5C14H17 (1)
Stoich.:	A4B5C14D17 (1)
Weight, g/mol:	319.128054
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	8.6
IP(EA), eV:	-9.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2-methyl-2-pyrazol-1-ylpropyl)amino]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C=C(C=N1)C(=O)OC)[N+](=O)[O-])N2C=CN=C2

DOS

IR

Vibrations