Geometry & MOs

Info

ID:	165191
PubChem CID:	74514038
Reduced:	O4N5C16H18 (1)
Stoich.:	A4B5C16D18 (1)
Weight, g/mol:	486.171476
ΔH_f, kcal/mol:	-88.58
Dipole, Da:	3.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865303
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3OC)C

DOS

IR

Vibrations