Geometry & MOs

Info

ID:	73300
PubChem CID:	48417394
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	365.112404
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	5.42
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations