Geometry & MOs

Info

ID:	28812
PubChem CID:	829786
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	342.113506
ΔH_f, kcal/mol:	-19.39
Dipole, Da:	2.6
IP(EA), eV:	-8.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-methoxyphenol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations