Geometry & MOs

Info

ID:	207163
PubChem CID:	80354622
Reduced:	FOSN2C12H19 (1)
Stoich.:	ABCD2E12F19 (1)
Weight, g/mol:	242.156518
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	1.61
IP(EA), eV:	-8.42(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethylsulfanyl]-1-methyl-3-propan-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)SCCN(C)C)N)F

DOS

IR

Vibrations