Geometry & MOs

Info

ID:	126910
PubChem CID:	50983901
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	19.95
Dipole, Da:	4.4
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=NC=C(C=N1)C(=O)NCC2=CN(N=C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations