Geometry & MOs

Info

ID:	333773
PubChem CID:	127252325
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	7.07
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(2-methoxyethyl)-1,4-oxazepan-6-yl]methyl]-N-methylpyridazin-3-amine

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CC(=NC2=N1)C3CCN(C3)C(=O)OC(C)(C)C)N

DOS

IR

Vibrations