Geometry & MOs

Info

ID:	233853
PubChem CID:	92098542
Reduced:	O2N6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	34.57
Dipole, Da:	6.24
IP(EA), eV:	-9.5(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC3=C(C=C2)N=CN3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations