Geometry & MOs

Info

ID:	307854
PubChem CID:	125309954
Reduced:	SN4F5O7H35C37 (1)
Stoich.:	AB4C5D7E35F37 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-409.35
Dipole, Da:	5.9
IP(EA), eV:	-8.7(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-aminophenyl)-4H-pyrazol-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@H](C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C)C)OC

DOS

IR

Vibrations