Geometry & MOs

Info

ID:	233827
PubChem CID:	92098516
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	3.86
IP(EA), eV:	-10.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CCC(=O)C2=CC=CC=C2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations