Geometry & MOs

Info

ID:	233845
PubChem CID:	92098534
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	354.144038
ΔH_f, kcal/mol:	10.01
Dipole, Da:	7.28
IP(EA), eV:	-8.88(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NC3CCC(CC3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations