Geometry & MOs

Info

ID:	11587
PubChem CID:	118035
Reduced:	ClON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	4.61
IP(EA), eV:	-8.86(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)-ethoxymethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations