Geometry & MOs

Info

ID:	233839
PubChem CID:	92098528
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	7.51
IP(EA), eV:	-9.55(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-(imidazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)COC2=CN=CC=C2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations