Geometry & MOs

Info

ID:	309611
PubChem CID:	126550807
Reduced:	NH3C4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	192.076199
ΔH_f, kcal/mol:	149.65
Dipole, Da:	4.25
IP(EA), eV:	-10.25(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-4-(2,2,2-trifluoroethyl)furan

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC(=N1)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations