Geometry & MOs

Info

ID:	233863
PubChem CID:	92098552
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	0.91
Dipole, Da:	9.98
IP(EA), eV:	-9.35(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations