Geometry & MOs

Info

ID:	207129
PubChem CID:	80351194
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	-17.8
Dipole, Da:	2.78
IP(EA), eV:	-9.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-3-yl)methylamino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC(CCO)CNCC1=CN2C=C(C=CC2=N1)Cl

DOS

IR

Vibrations