Geometry & MOs

Info

ID:	233847
PubChem CID:	92098536
Reduced:	O3N6C16H16 (1)
Stoich.:	A3B6C16D16 (1)
Weight, g/mol:	394.121195
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	6.18
IP(EA), eV:	-10.08(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=NNC(=O)C=C2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations