Geometry & MOs

Info

ID:	233849
PubChem CID:	92098538
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	378.144038
ΔH_f, kcal/mol:	49.01
Dipole, Da:	5.66
IP(EA), eV:	-9.14(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC(=NN2)C3=CC=CC=C3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations