Geometry & MOs

Info

ID:	190081
PubChem CID:	77951248
Reduced:	BrO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	379.108754
ΔH_f, kcal/mol:	-101.65
Dipole, Da:	4.36
IP(EA), eV:	-9.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[[5-methyl-6-oxo-3-(3-pyridin-3-ylpropyl)-3H-pyridin-4-yl]oxy]benzonitrile

Drug info:

PubChemData

Smile

CC1OC(O1)C(=O)C=C(C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations