Geometry & MOs

Info

ID:	198122
PubChem CID:	79051021
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	301.155705
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	2.27
IP(EA), eV:	-8.72(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,5-dimethylpyrazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-ol

Drug info:

PubChemData

Smile

CC1CC(CC(C1)C(C(C)(C)N2CCOCC2)N)C

DOS

IR

Vibrations