Geometry & MOs

Info

ID:	288529
PubChem CID:	104318844
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	3.5
IP(EA), eV:	-8.95(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1C=CC(=C1)CO)O

DOS

IR

Vibrations