Geometry & MOs

Info

ID:	177242
PubChem CID:	76150856
Reduced:	ON6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	59.19
Dipole, Da:	3.48
IP(EA), eV:	-9.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[1-(2-methyl-5-phenylpyrazole-3-carbonyl)pyrrolidin-3-yl]oxypyran-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCC(C2)N3C=CN=N3

DOS

IR

Vibrations