Geometry & MOs

Info

ID:	422387
PubChem CID:	135117739
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	506.289306
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	5.35
IP(EA), eV:	-9.48(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-11-(2,2-diphenylacetyl)-2-methyl-5-propan-2-yl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=C(N(N=C3)C)C

DOS

IR

Vibrations