Geometry & MOs

Info

ID:	401615
PubChem CID:	135051834
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	235.099714
ΔH_f, kcal/mol:	-129.16
Dipole, Da:	4.19
IP(EA), eV:	-9.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-isocyano-3-methylphenyl)-1-phenylethanone

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1C(C2CCCCC2)O)OC

DOS

IR

Vibrations