Geometry & MOs

Info

ID:	216039
PubChem CID:	85085617
Reduced:	N3O5C7H11 (1)
Stoich.:	A3B5C7D11 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	4.58
IP(EA), eV:	-10.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-isocyano-3-methylpentanoate

Drug info:

PubChemData

Smile

COCC(C=CC(=NO)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations