Geometry & MOs

Info

ID:	298745
PubChem CID:	117655386
Reduced:	OF3N3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-188.48
Dipole, Da:	5.74
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetonitrile;2,3,4-trimethoxybicyclo[3.1.0]hexa-1(6),2,4-triene

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C3=CC(=CC(=C3)C(F)(F)F)C(=O)N

DOS

IR

Vibrations