Geometry & MOs

Info

ID:	279465
PubChem CID:	103844015
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	293.056719
ΔH_f, kcal/mol:	-1.77
Dipole, Da:	5.94
IP(EA), eV:	-9.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(cyclopropylmethyl)-5-nitro-N-prop-2-ynylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

C#CCN(CC1CC1)C(=O)C2=CC(=O)NC=C2

DOS

IR

Vibrations