Geometry & MOs

Info

ID:	216256
PubChem CID:	85085956
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-110.79
Dipole, Da:	5.47
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone

Drug info:

PubChemData

Smile

CCCCCC=C1CC2=C(C(=CC=C2)O)OC1=O

DOS

IR

Vibrations