Geometry & MOs

Info

ID:	222666
PubChem CID:	85308112
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	4.48
IP(EA), eV:	-9.27(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxo-3,3a,4,6a-tetrahydrofuro[3,4-c]pyrazol-4-yl)methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1CN(CC1C)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations