Geometry & MOs

Info

ID:	426487
PubChem CID:	135144427
Reduced:	ClN4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	296.168877
ΔH_f, kcal/mol:	67.44
Dipole, Da:	6.44
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butyl-N-methylanilino)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CN(C)C(CCN)C1=CC(=C(C=C1)C#N)CNC2=CC=C(C=C2)Cl

DOS

IR

Vibrations