Geometry & MOs

Info

ID:	322047
PubChem CID:	126668406
Reduced:	SN3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	346.262028
ΔH_f, kcal/mol:	-128.38
Dipole, Da:	6.71
IP(EA), eV:	-9.44(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-6-oxo-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]octanamide

Drug info:

PubChemData

Smile

C1CCOC2(C1)CCCC(C2)NC(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations