Geometry & MOs

Info

ID:	320942
PubChem CID:	126664273
Reduced:	IO2N3C15H26 (1)
Stoich.:	AB2C3D15E26 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	2.23
IP(EA), eV:	-9.18(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrano[4,3-c]pyrazol-4-one

Drug info:

PubChemData

Smile

CCC(C)(C)C1(CCCC1)OC(=O)C(C)(C23C(N2)N3)NI

DOS

IR

Vibrations