Geometry & MOs

Info

ID:	268539
PubChem CID:	103599850
Reduced:	ClO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	424.189926
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	4.76
IP(EA), eV:	-8.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-hydroxyphenyl)propyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C=CC(=O)NCCCC2=CC=C(C=C2)O)Cl

DOS

IR

Vibrations