Geometry & MOs

Info

ID:	57305
PubChem CID:	22395625
Reduced:	O2C15H24 (1)
Stoich.:	A2B15C24 (1)
Weight, g/mol:	348.077993
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	2.31
IP(EA), eV:	-8.67(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetonitrile;phenyl (1E)-N-(4-methoxyphenyl)sulfonyloxymethanimidate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OOC(C)(C)CCC(C)C

DOS

IR

Vibrations