Geometry & MOs

Info

ID:	202189
PubChem CID:	79640709
Reduced:	ON2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	3.73
IP(EA), eV:	-8.57(2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)N(C)C2CCCC(C2)C)CO

DOS

IR

Vibrations