Geometry & MOs

Info

ID:	282377
PubChem CID:	103923830
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-159.72
Dipole, Da:	3.2
IP(EA), eV:	-9.18(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-propan-2-ylpyrazol-4-yl)methylamino]hexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC[C@H](C)O)C(=O)OC

DOS

IR

Vibrations