Geometry & MOs

Info

ID:	394619
PubChem CID:	135023296
Reduced:	SiO2C24H38 (1)
Stoich.:	AB2C24D38 (1)
Weight, g/mol:	511.213201
ΔH_f, kcal/mol:	-91.02
Dipole, Da:	1.19
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,4-dimethoxyphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-4-N-quinolin-7-yl-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

CC(C)[Si](C#CC1=C2[C@@H](CC1=O)CO[C@@H]2C(C)(C)CC=C)(C(C)C)C(C)C

DOS

IR

Vibrations