Geometry & MOs

Info

ID:	299048
PubChem CID:	117670091
Reduced:	ClON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	214.062139
ΔH_f, kcal/mol:	42.89
Dipole, Da:	1.77
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2,3-dihydro-1,3-oxazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=NC=CC=N2)Cl)CN3CCOCC3

DOS

IR

Vibrations