Geometry & MOs

Info

ID:	401364
PubChem CID:	135051053
Reduced:	ON2H18C28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	461.13857
ΔH_f, kcal/mol:	131.82
Dipole, Da:	7.63
IP(EA), eV:	-9.69(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methoxyaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)C(=N2)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

DOS

IR

Vibrations