Geometry & MOs

Info

ID:	299771
PubChem CID:	117689283
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	299.11217
ΔH_f, kcal/mol:	33.29
Dipole, Da:	5.91
IP(EA), eV:	-8.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-2-[2-(2,2-difluoroethoxy)phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC=C1)C2=C3C(=CC(=C2)C4=C(ON=C4C)C)NC(=N3)C5CC5

DOS

IR

Vibrations