Geometry & MOs

Info

ID:	73383
PubChem CID:	48417575
Reduced:	ON7H11C13 (1)
Stoich.:	AB7C11D13 (1)
Weight, g/mol:	325.117489
ΔH_f, kcal/mol:	97.18
Dipole, Da:	10.21
IP(EA), eV:	-9.08(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)C(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations