Geometry & MOs

Info

ID:	233855
PubChem CID:	92098544
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	430.06405
ΔH_f, kcal/mol:	1.65
Dipole, Da:	4.06
IP(EA), eV:	-9.89(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations