Geometry & MOs

Info

ID:	269012
PubChem CID:	103605014
Reduced:	NC13H27 (1)
Stoich.:	AB13C27 (1)
Weight, g/mol:	308.052797
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	2.2
IP(EA), eV:	-8.64(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-chloro-4-(difluoromethoxy)anilino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCC(C)NCC=C(C)C

DOS

IR

Vibrations