Geometry & MOs

Info

ID:	328488
PubChem CID:	126723245
Reduced:	ClFN3O5C17H25 (1)
Stoich.:	ABC3D5E17F25 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	-277.77
Dipole, Da:	6.77
IP(EA), eV:	-9.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-5-[(E)-3-(3-phenyl-1H-pyrazol-5-yl)prop-2-enoyl]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)CC(C)C(=O)O[C@H]1[C@H]([C@@H](O[C@@]1(CO)CCl)N2C=CC(=NC2=O)N)F

DOS

IR

Vibrations