Geometry & MOs

Info

ID:	172604
PubChem CID:	75529722
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	9.26
IP(EA), eV:	-9.08(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8R)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-8-(pyridin-3-ylmethylamino)azonane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)[C@@H]2CCC[C@H](CN(C(=O)C2)C)N(C)C

DOS

IR

Vibrations