Geometry & MOs

Info

ID:	233833
PubChem CID:	92098522
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	36.71
Dipole, Da:	5.7
IP(EA), eV:	-9.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CN2C=NC3=CC=CC=C32)OC4=NC=CN=C4C#N

DOS

IR

Vibrations