Geometry & MOs

Info

ID:	224852
PubChem CID:	85475341
Reduced:	O2N6H16C21 (1)
Stoich.:	A2B6C16D21 (1)
Weight, g/mol:	370.273262
ΔH_f, kcal/mol:	110.02
Dipole, Da:	7.89
IP(EA), eV:	-9.13(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-[3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)phenyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C=CC(=O)NNC(=O)C3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations