Geometry & MOs

Info

ID:	347135
PubChem CID:	127271639
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	7.76
IP(EA), eV:	-8.12(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations