Geometry & MOs

Info

ID:	233850
PubChem CID:	92098539
Reduced:	O3N6H18C19 (1)
Stoich.:	A3B6C18D19 (1)
Weight, g/mol:	448.185903
ΔH_f, kcal/mol:	18.39
Dipole, Da:	2.57
IP(EA), eV:	-9.34(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=NNC(=C2)C3=CC=CO3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations