Geometry & MOs

Info

ID:	179100
PubChem CID:	76433561
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	0.8
IP(EA), eV:	-8.92(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-amino-5-cyano-4-(5-ethylpyrazolidin-3-yl)pyridin-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CNC(=O)C1CC(NN1)COC2=CC=CC=C2)O

DOS

IR

Vibrations