Geometry & MOs

Info

ID:	146366
PubChem CID:	53676825
Reduced:	NPO5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-229.74
Dipole, Da:	4.32
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyano-N-(3-phenylpentan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CP(=O)(O)O)NCC(=O)O

DOS

IR

Vibrations