Geometry & MOs

Info

ID:	426282
PubChem CID:	135143177
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	62.85
Dipole, Da:	4.13
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,6,6-tetramethyl-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=NCC2=NC3=C4C=CNC4=NC=C3N2)NO

DOS

IR

Vibrations