Geometry & MOs

Info

ID:	83814
PubChem CID:	49861546
Reduced:	C2O2Cl3N3H8 (1)
Stoich.:	A2B2C3D3E8 (1)
Weight, g/mol:	331.251129
ΔH_f, kcal/mol:	-141.55
Dipole, Da:	4.05
IP(EA), eV:	-10.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(cyclobutylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadecan-13-one

Drug info:

PubChemData

Smile

CN(C(=O)N)N=O.Cl.Cl.Cl

DOS

IR

Vibrations