Geometry & MOs

Info

ID:	370234
PubChem CID:	127337901
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	5.42
IP(EA), eV:	-8.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCCC3C4=CC(=CC=C4)F

DOS

IR

Vibrations