Geometry & MOs

Info

ID:	183901
PubChem CID:	77088763
Reduced:	ClFO2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	376.130218
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	2.31
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-chloro-5-pyrazol-1-ylbenzoyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=C(C(=C1)C2=NC=C(C(=N2)OC)F)Cl

DOS

IR

Vibrations