Geometry & MOs

Info

ID:	297064
PubChem CID:	117607518
Reduced:	OF3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	5.45
IP(EA), eV:	-9.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-azidophenyl)piperidin-1-yl]-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=NN3C=C(N=C3C=C2)C(=O)N4CCC(CC4)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations