Geometry & MOs

Info

ID:	180809
PubChem CID:	76689416
Reduced:	YN2O3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	357.00321
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	5.39
IP(EA), eV:	-6.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-methanidyl-5-(nitromethyl)-5,6-dihydrobenzo[b][1]benzoxepine;yttrium

Drug info:

PubChemData

Smile

CCC1[CH-]C(OC1CC)N2CCC(=O)NC2=O.[Y]

DOS

IR

Vibrations