Geometry & MOs

Info

ID:	321950
PubChem CID:	126667486
Reduced:	N2O3H12C17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	185.02639
ΔH_f, kcal/mol:	-35.23
Dipole, Da:	10.98
IP(EA), eV:	-9.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-4,4,4-trifluoro-2-methylbut-2-enenitrile

Drug info:

PubChemData

Smile

CN1C=CC2=C(C=C(C=C21)C#N)C3=CC(=C(C=C3)C(=O)O)O

DOS

IR

Vibrations