Geometry & MOs

Info

ID:	233868
PubChem CID:	92098557
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	404.159689
ΔH_f, kcal/mol:	47.59
Dipole, Da:	5.62
IP(EA), eV:	-8.88(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)NC3CCC(CC3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations