Geometry & MOs

Info

ID:	335480
PubChem CID:	127254342
Reduced:	N4O7C26H26 (1)
Stoich.:	A4B7C26D26 (1)
Weight, g/mol:	358.131742
ΔH_f, kcal/mol:	-229.8
Dipole, Da:	8.01
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-4-[(Z)-3-phenylprop-2-enoxy]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=CC5=C(C=C4NC3=O)OCCO5)O

DOS

IR

Vibrations