Geometry & MOs

Info

ID:	233819
PubChem CID:	92098508
Reduced:	O2N8H18C19 (1)
Stoich.:	A2B8C18D19 (1)
Weight, g/mol:	389.160023
ΔH_f, kcal/mol:	93.58
Dipole, Da:	9.15
IP(EA), eV:	-10.2(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC(=CC=C2)N3C=NN=N3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations