Geometry & MOs

Info

ID:	233871
PubChem CID:	92098560
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	401.04874
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	10.37
IP(EA), eV:	-9.4(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)NC2CCC(CC2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations