Geometry & MOs

Info

ID:	447526
PubChem CID:	135283591
Reduced:	O2N3C16H21 (2)
Stoich.:	A2B3C16D21 (2)
Weight, g/mol:	385.191403
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	3.85
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(azetidin-3-ylcarbamoyl)-3-fluoro-2-methylphenyl]-N-butan-2-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=C)C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=NC=C(C=C4)C5CCCN(C5)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations