Geometry & MOs

Info

ID:	256359
PubChem CID:	103138750
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	3.25
IP(EA), eV:	-8.93(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(1-methylpyrazol-3-yl)butan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNC2CC2)C3=CC=CC=C3C

DOS

IR

Vibrations