Geometry & MOs

Info

ID:	264510
PubChem CID:	103465439
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-131.01
Dipole, Da:	1.11
IP(EA), eV:	-9.62(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol

Drug info:

PubChemData

Smile

CCCC1C(=O)N(C(C(=O)N1)C)CC(C)(C)CC

DOS

IR

Vibrations