Geometry & MOs

Info

ID:	191516
PubChem CID:	78156315
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	643.195465
ΔH_f, kcal/mol:	-167.54
Dipole, Da:	2.97
IP(EA), eV:	-9.41(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7-bis(4-hydroxy-3-methoxyphenyl)-4-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]hepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCC1CC(=C)CO

DOS

IR

Vibrations