Geometry & MOs

Info

ID:	9558
PubChem CID:	90916
Reduced:	NOC6H9 (4)
Stoich.:	ABC6D9 (4)
Weight, g/mol:	444.273656
ΔH_f, kcal/mol:	-172.04
Dipole, Da:	3.82
IP(EA), eV:	-10.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)CN2C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)N=C=O)C)N=C=O)C

DOS

IR

Vibrations