Geometry & MOs

Info

ID:	73165
PubChem CID:	48417133
Reduced:	OH7N7C11 (1)
Stoich.:	AB7C7D11 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	126.8
Dipole, Da:	4.52
IP(EA), eV:	-9.45(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-(5-amino-4-cyanopyrazole-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NNN=C2C=C1C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations