Geometry & MOs

Info

ID:	343596
PubChem CID:	127266772
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	2.13
IP(EA), eV:	-9.78(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2-cyanocyclohexyl)amino]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2C=CC(=CC2=O)C#N

DOS

IR

Vibrations