Geometry & MOs

Info

ID:	144619
PubChem CID:	53388081
Reduced:	SiN3O10C47H57 (1)
Stoich.:	AB3C10D47E57 (1)
Weight, g/mol:	346.123676
ΔH_f, kcal/mol:	-369.05
Dipole, Da:	7.41
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-phenyl-2-(1,2,5-trimethylpyrrol-3-yl)quinoline

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC1=CC=CC=C1COC(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)O

DOS

IR

Vibrations