Geometry & MOs

Info

ID:	343001
PubChem CID:	127266164
Reduced:	N2O5C17H32 (1)
Stoich.:	A2B5C17D32 (1)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	-277.23
Dipole, Da:	2.84
IP(EA), eV:	-9.49(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorophenyl)-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CCOCCCC(=O)N1CCC(CC1)(CNC(=O)OC(C)(C)C)O

DOS

IR

Vibrations