Geometry & MOs

Info

ID:	344356
PubChem CID:	127267532
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	9.08
Dipole, Da:	6.72
IP(EA), eV:	-9.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-nitro-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(=O)N2CCCC(CC2)N3C=CN=N3

DOS

IR

Vibrations