Geometry & MOs

Info

ID:	59569
PubChem CID:	24875316
Reduced:	N5O5C18H34 (2)
Stoich.:	A5B5C18D34 (2)
Weight, g/mol:	330.057134
ΔH_f, kcal/mol:	-546.36
Dipole, Da:	7.54
IP(EA), eV:	-9.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-2-fluoro-3-phenoxyphenyl)methyl]-1H-pyridazin-6-one

Drug info:

Smile

CCCC[C@H](CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations