Geometry & MOs

Info

ID:	145401
PubChem CID:	53516983
Reduced:	OSN5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	68.28
Dipole, Da:	0.81
IP(EA), eV:	-8.83(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C3=CN=C(C=C3)N4C=CC=N4)C

DOS

IR

Vibrations