Geometry & MOs

Info

ID:	396242
PubChem CID:	135027844
Reduced:	BrO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	405.04767
ΔH_f, kcal/mol:	-118.95
Dipole, Da:	3.48
IP(EA), eV:	-9.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6-bromoquinolin-2-yl)-1-(4-methoxyphenyl)ethyl]propanedinitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](C[C@](OC1=O)(CC=C)C2=CC=CC=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations