Geometry & MOs

Info

ID:	11586
PubChem CID:	118034
Reduced:	ClON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	3.42
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine

Drug info:

PubChemData

Smile

CCC1(CNC(=NC1)C(C2=CC=C(C=C2)Cl)OCC)CC

DOS

IR

Vibrations