Geometry & MOs

Info

ID:	421908
PubChem CID:	135116822
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	392.242356
ΔH_f, kcal/mol:	-222.4
Dipole, Da:	7.62
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)C2=C(C=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O)C(=O)O

DOS

IR

Vibrations