Geometry & MOs

Info

ID:	270237
PubChem CID:	103635584
Reduced:	ClOSN3C10H20 (1)
Stoich.:	ABCD3E10F20 (1)
Weight, g/mol:	267.119461
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	4.67
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N(C)C)CN[C@H](C)CO.Cl

DOS

IR

Vibrations