Geometry & MOs

Info

ID:	375946
PubChem CID:	134221943
Reduced:	NCl2F3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	4.56
IP(EA), eV:	-8.91(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-2-phenylmethoxyaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)Cl)C(/C=C/C2=CC=C(C3=CC=CC=C23)CN)C(F)(F)F

DOS

IR

Vibrations