Geometry & MOs

Info

ID:	343855
PubChem CID:	127267031
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	319.128054
ΔH_f, kcal/mol:	-0.83
Dipole, Da:	4.48
IP(EA), eV:	-9.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2-imidazol-1-yl-2-methylpropyl)amino]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NCC2CC(NC(=O)C2)C)C#N

DOS

IR

Vibrations