Geometry & MOs

Info

ID:	255331
PubChem CID:	103131439
Reduced:	ON3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-42.22
Dipole, Da:	2.27
IP(EA), eV:	-8.75(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxy-3-methylcyclohexyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2(CCC(CC2)C)OCC

DOS

IR

Vibrations