Geometry & MOs

Info

ID:	374072
PubChem CID:	131323342
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	2.68
IP(EA), eV:	-7.74(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-1,5-dimethylpyrazol-4-yl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCCC1=C(C=C(N1C)N)N2CCOCC2

DOS

IR

Vibrations