Geometry & MOs

Info

ID:	424487
PubChem CID:	135122867
Reduced:	ClOF3N3H17C19 (1)
Stoich.:	ABC3D3E17F19 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	1.79
IP(EA), eV:	-9.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 1-methylimidazole-2-carboxylate

Drug info:

PubChemData

Smile

CCC(CN1C=NC=N1)C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations