Geometry & MOs

Info

ID:	435384
PubChem CID:	135191343
Reduced:	O2F3N3C20H22 (1)
Stoich.:	A2B3C3D20E22 (1)
Weight, g/mol:	140.094963
ΔH_f, kcal/mol:	-196.57
Dipole, Da:	5.4
IP(EA), eV:	-9.01(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrazole

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1C(=O)O)N2C[C@H]3CC(C[C@H]3C2)C4C=CC=CC4C(F)(F)F

DOS

IR

Vibrations