Geometry & MOs

Info

ID:	233856
PubChem CID:	92098545
Reduced:	BrO3N4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	5.42
IP(EA), eV:	-9.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)NC2CCC(CC2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations