Geometry & MOs

Info

ID:	378197
PubChem CID:	134224273
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	4.91
IP(EA), eV:	-8.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-4,5,6,8-tetramethyl-7-prop-1-en-2-yl-1,3-diazocan-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2)NC3=CC4=C(C=C3)NCCO4

DOS

IR

Vibrations