Geometry & MOs

Info

ID:	202172
PubChem CID:	79638107
Reduced:	N2O3C12H24 (1)
Stoich.:	A2B3C12D24 (1)
Weight, g/mol:	298.156039
ΔH_f, kcal/mol:	-155.75
Dipole, Da:	4.59
IP(EA), eV:	-9.35(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-methylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(COC)OC1CCCC(C1)(C(=O)N)NC

DOS

IR

Vibrations