Geometry & MOs

Info

ID:	400009
PubChem CID:	135044474
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	231.087157
ΔH_f, kcal/mol:	12.77
Dipole, Da:	10.16
IP(EA), eV:	-9.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;1-isocyanato-2-(phenylmethoxy)benzene

Drug info:

PubChemData

Smile

CC1C(=O)C(=C2N1CCN(CN2)CC#C)[N+](=O)[O-]

DOS

IR

Vibrations