Geometry & MOs

Info

ID:	176407
PubChem CID:	76045225
Reduced:	BClN2O4C16H22 (1)
Stoich.:	ABC2D4E16F22 (1)
Weight, g/mol:	942.12581
ΔH_f, kcal/mol:	-216.55
Dipole, Da:	7.33
IP(EA), eV:	-8.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NN=C(C(=O)OCC)Cl

DOS

IR

Vibrations