Geometry & MOs

Info

ID:	11589
PubChem CID:	118053
Reduced:	OCl2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	286.063968
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	4.6
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)-ethoxymethyl]-1,4,5,6-tetrahydropyrimidine

Drug info:

PubChemData

Smile

CCOC(C1=CC(=C(C=C1)Cl)Cl)C2=NCCCN2

DOS

IR

Vibrations