Geometry & MOs

Info

ID:	11590
PubChem CID:	118056
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-30.51
Dipole, Da:	2.19
IP(EA), eV:	-8.77(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethoxy-(4-propan-2-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations