Geometry & MOs

Info

ID:	233866
PubChem CID:	92098555
Reduced:	BrO3N5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	7.91
IP(EA), eV:	-9.04(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-5-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Br)OC4=NC=CN=C4C#N

DOS

IR

Vibrations