Geometry & MOs

Info

ID:	370249
PubChem CID:	127337916
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	16.72
Dipole, Da:	9.25
IP(EA), eV:	-8.34(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations