Geometry & MOs

Info

ID:	216289
PubChem CID:	85085992
Reduced:	SO2N4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	5.71
IP(EA), eV:	-8.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-2-[2-(methoxymethoxy)-4-methylphenyl]cyclobutan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NC=C2C(=O)SC(=N2)OC

DOS

IR

Vibrations