Geometry & MOs

Info

ID:	269014
PubChem CID:	103605085
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	309.093185
ΔH_f, kcal/mol:	-0.62
Dipole, Da:	3.72
IP(EA), eV:	-7.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NCC2=CC=CC=C2C#N)OC)OC

DOS

IR

Vibrations