Geometry & MOs

Info

ID:	369768
PubChem CID:	127335244
Reduced:	OF2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	6.63
IP(EA), eV:	-8.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-chromen-4-yl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CC3C4=C(C=CC=C4F)F

DOS

IR

Vibrations