Geometry & MOs

Info

ID:	11593
PubChem CID:	118060
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	4.86
IP(EA), eV:	-8.91(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations