Geometry & MOs

Info

ID:	233848
PubChem CID:	92098537
Reduced:	SO2N6H18C19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	53.67
Dipole, Da:	2.11
IP(EA), eV:	-9.45(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=NNC(=C2)C3=CC=CS3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations