Geometry & MOs

Info

ID:	287042
PubChem CID:	104231721
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	4.22
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-hydroxyethyl)-3-methoxyphenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=C(C(=CC=C2)OC)[C@H](C)O

DOS

IR

Vibrations