Geometry & MOs

Info

ID:	434772
PubChem CID:	135175689
Reduced:	ClSF2O3N5C35H38 (1)
Stoich.:	ABC2D3E5F35G38 (1)
Weight, g/mol:	177.06689
ΔH_f, kcal/mol:	-143.21
Dipole, Da:	3.56
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-[(2-ethyl-3,4-dihydropyrazol-3-yl)amino]methanol

Drug info:

PubChemData

Smile

C1CCC(C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F)C=N2

DOS

IR

Vibrations