Geometry & MOs

Info

ID:	253874
PubChem CID:	103121273
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	303.077454
ΔH_f, kcal/mol:	16.6
Dipole, Da:	5.14
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NCC2=C(C=CS2)C#CCCO

DOS

IR

Vibrations