Geometry & MOs

Info

ID:	151437
PubChem CID:	53801280
Reduced:	NO3F6C15H17 (1)
Stoich.:	AB3C6D15E17 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-430.23
Dipole, Da:	4.98
IP(EA), eV:	-9.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)N(C)C)C)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations