Geometry & MOs

Info

ID:	280856
PubChem CID:	103851629
Reduced:	NOSF2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	3.07
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-(4-nitrophenyl)ethanol

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)CNCCSCCCO

DOS

IR

Vibrations