Geometry & MOs

Info

ID:	226481
PubChem CID:	87457469
Reduced:	N2O3F6H22C24 (1)
Stoich.:	A2B3C6D22E24 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	-380.51
Dipole, Da:	4.67
IP(EA), eV:	-9.8(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl thiocyanate;1-ethylimidazole

Drug info:

PubChemData

Smile

COCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3CC3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations