Geometry & MOs

Info

ID:	233857
PubChem CID:	92098546
Reduced:	ClO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	384.154603
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	4.94
IP(EA), eV:	-9.96(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CCC(=O)C2=CC=C(C=C2)Cl)OC3=NC=CN=C3C#N

DOS

IR

Vibrations