Geometry & MOs

Info

ID:	11591
PubChem CID:	118058
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	2.91
IP(EA), eV:	-8.74(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethoxy(phenyl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

Drug info:

PubChemData

Smile

CCOC(C1=CC=CC=C1)C2=NCC(CN2)(C)C

DOS

IR

Vibrations