Geometry & MOs

Info

ID:	82678
PubChem CID:	49856330
Reduced:	ClFN3O3H21C30 (1)
Stoich.:	ABC3D3E21F30 (1)
Weight, g/mol:	431.2128
ΔH_f, kcal/mol:	-29.67
Dipole, Da:	6.63
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-N-(3,4,5-trimethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CC(=C5)/C=C/C(=O)O)Cl

DOS

IR

Vibrations