Geometry & MOs

Info

ID:	121715
PubChem CID:	50778580
Reduced:	OF2N4H16C23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	7.35
IP(EA), eV:	-9.0(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-phenylpyridazin-3-yl)amino]-N-(2-piperidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=NN=C(C=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations